A0A087XUC3_POEFO Loading...

N-alpha-acetyltransferase 50

AlphaFold DB , UniProt , Accession A0A087XUC3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 169 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.8Very low83.7Confident240 Ų24093.6 Ų93.6100%1.18250%0.496SS*.  0117.20-67.5160.186.200107.3G3M1-G3 PolarHBondContact O-N 3.14Å
2K50.8Low84.9Confident215 Ų21589.9 Ų89.994%0.93548%0.479SS*.PPolyproline II helixtrans-67.8118.4174.7-79.2179.71751780107.3
3G69.1Low86Confident65 Ų6591.3 Ų91.367%0.6750%0.496SS*.PPolyproline II helixtrans-58.8146.5178.600000111.1M1 R5M1-G3 PolarHBondContact O-N 3.14Å; G3-R5 PolarHBondContact O-N 3.23Å
4S78Confident86.8Confident74 Ų7497.9 Ų97.952%0.51752%0.521SS..PPolyproline II helixtrans-56.6137.1176.7-540000110.9F51 N52S4-F51 WeakPolarHBondContact OG-CZ 3.24Å; S4-N52 WeakPolarHBondContact CA-OD1 3.33Å
5R92Very high87.6Confident139 Ų13992.9 Ų92.953%0.52550%0.495SS..PPolyproline II helixtrans-91.2128.8-178.1-66.8-170.7-62.7-1563.7110.6G3 F51 N52 D53G3-R5 PolarHBondContact O-N 3.23Å; R5-F51 WeakPolarHBondContact O-CA 3.37Å; R5-N52 PolarHBondContact N-OD1 3.11Å; R5-N52 PolarHBondContact O-N 3.08Å; R5-D53 IonicContact NH2-OD1 2.99Å; R5-D53 IonicContact NH2-OD2 2.98Å; R5-D53 PolarHBondContact NH2-OD2 3.05Å
6I97.6Very high88.3Confident40 Ų4088.9 Ų88.921%0.20547%0.473CS..EExtended strand (participates in β ladder)trans-117119.3173.8-50.3175.9000108.7Y50 F51 L86 I88 K91I6-Y50 WeakPolarHBondContact CA-O 3.48Å; I6-F51 HydrophobicContact CG1-CD2 4.03Å; I6-F51 HydrophobicContact CG1-CE2 4.48Å; I6-L86 WeakPolarHBondContact CD1-O 3.03Å; I6-I88 HydrophobicContact CD1-CG1 4.08Å; I6-I88 HydrophobicContact CG2-CG1 4.05Å; I6-K91 HydrophobicContact CB-CD 4.16Å; I6-K91 HydrophobicContact CG2-CB 4.49Å; I6-K91 HydrophobicContact CG2-CD 3.57Å; I6-K91 WeakPolarHBondContact O-CD 3.46Å; I6-K91 WeakPolarHBondContact O-CE 3.44Å; I6-K91 PolarHBondContact O-NZ 3.33Å
7E98.1Very high88.9Confident89 Ų8993.5 Ų93.542%0.41649%0.488SS..EExtended strand (participates in β ladder)trans-131.5156.2-172.7-66.9179-167.500110.9A49 Y50E7-A49 WeakPolarHBondContact O-CA 3.5Å; E7-Y50 PolarHBondContact N-O 3.27Å; E7-Y50 PolarHBondContact O-N 3.33Å
8L98.7Very high89.4Confident45 Ų4592.7 Ų92.724%0.23648%0.482CS..EExtended strand (participates in β ladder)trans-113137172.2-61.3-177.7000108K47 L48 A49 K91 M92 H95L8-K47 HydrophobicContact CB-CB 4.29Å; L8-K47 HydrophobicContact CB-CG 4.43Å; L8-L48 CarbonylContact C-O 3.44Å; L8-L48 VanDerWaalsContact CA-O 3.31Å; L8-L48 WeakPolarHBondContact CA-O 3.31Å; L8-A49 HydrophobicContact CD2-CB 3.85Å; L8-K91 HydrophobicContact CD1-CG 4.42Å; L8-K91 HydrophobicContact CD2-CD 4.34Å; L8-K91 HydrophobicContact CG-CD 4.12Å; L8-K91 HydrophobicContact CG-CG 4.31Å; L8-M92 HydrophobicContact CD2-CG 3.78Å; L8-H95 HydrophobicContact CD1-CB 3.46Å; L8-H95 VanDerWaalsContact CD1-CB 3.46Å
9G98.4Very high89.9Confident19 Ų1987.8 Ų87.820%0.19646%0.456CS..EExtended strand (participates in β ladder)trans-130.4160.1176.800000111.4K47 L48G9-K47 WeakPolarHBondContact O-CA 3.13Å; G9-K47 WeakPolarHBondContact O-CD 3.47Å; G9-L48 PolarHBondContact N-O 2.91Å; G9-L48 PolarHBondContact O-N 2.96Å
10D98.6Very high90.3Very high86 Ų8686.8 Ų86.846%0.4645%0.448SS..EExtended strand (participates in β ladder)trans-67146.5-177.4-62.7-28.8000112.2T12 N15 K47D10-T12 HydrophobicContact CB-CG2 3.95Å; D10-N15 PolarHBondContact O-ND2 3.43Å; D10-K47 IonicContact OD1-NZ 2.92Å; D10-K47 PolarHBondContact OD1-NZ 2.98Å
11V98.6Very high90.7Very high18 Ų1891.3 Ų91.311%0.10946%0.46CS..  trans-82.2123.8160.7-175.20000107.5N15 I16 L19 V39 L40 A46 L48V11-N15 WeakPolarHBondContact CA-OD1 3.41Å; V11-I16 HydrophobicContact CG1-CD1 3.52Å; V11-L19 HydrophobicContact CG1-CD2 3.89Å; V11-L19 HydrophobicContact CG2-CD2 4.17Å; V11-V39 HydrophobicContact CB-CG1 4.35Å; V11-V39 HydrophobicContact CG1-CG1 3.97Å; V11-V39 HydrophobicContact CG2-CG1 4.45Å; V11-L40 HydrophobicContact CG1-CD2 4.2Å; V11-A46 HydrophobicContact CB-CB 4.39Å; V11-A46 HydrophobicContact CG2-CB 3.96Å; V11-L48 HydrophobicContact CG2-CG 4.3Å
12T98.6Very high93.4Very high49 Ų4980.4 Ų80.430%0.30141%0.406SS..  trans-130.1163.9-177.568.90000110.2D10 H14 N15 I16 L40D10-T12 HydrophobicContact CB-CG2 3.95Å; T12-H14 PolarHBondContact O-N 3.28Å; T12-H14 PolarHBondContact OG1-N 3.49Å; T12-N15 PolarHBondContact N-OD1 3.47Å; T12-N15 PolarHBondContact O-N 3.03Å; T12-N15 VanDerWaalsContact O-N 3.11Å; T12-N15 PolarHBondContact O-OD1 3.35Å; T12-N15 PolarHBondContact OG1-N 3.34Å; T12-I16 PolarHBondContact O-N 2.89Å; T12-L40 VanDerWaalsContact C-CD2 3.41Å
13P98.3Very high95.7Very high108 Ų10870.2 Ų70.270%0.70136%0.362SS*.THydrogen-bonded Turntrans-54.6-28.4173.1-27.336.3000113.2I16 L40P13-I16 WeakPolarHBondContact O-CG2 3.34Å; P13-L40 HydrophobicContact CG-CD1 4.49Å; P13-L40 HydrophobicContact CG-CD2 4.28Å
14H98.3Very high97.1Very high183 Ų18372.5 Ų72.585%0.84736%0.355SS*.THydrogen-bonded Turntrans-72-38.5179.7-167.678.8000112.9T12T12-H14 PolarHBondContact O-N 3.28Å; T12-H14 PolarHBondContact OG1-N 3.49Å
15N98.3Very high98.1Very high24 Ų2474.2 Ų74.213%0.12836%0.362CS..THydrogen-bonded Turntrans-106.60.9-175.270.122.6000114.5D10 V11 T12 K17 Q18 L19 L48D10-N15 PolarHBondContact O-ND2 3.43Å; V11-N15 WeakPolarHBondContact CA-OD1 3.41Å; T12-N15 PolarHBondContact N-OD1 3.47Å; T12-N15 PolarHBondContact O-N 3.03Å; T12-N15 VanDerWaalsContact O-N 3.11Å; T12-N15 PolarHBondContact O-OD1 3.35Å; T12-N15 PolarHBondContact OG1-N 3.34Å; N15-K17 PolarHBondContact O-N 3.39Å; N15-K17 VanDerWaalsContact O-N 3.09Å; N15-Q18 WeakPolarHBondContact O-CA 3.31Å; N15-Q18 WeakPolarHBondContact O-CB 3.46Å; N15-Q18 PolarHBondContact O-N 2.93Å; N15-L19 PolarHBondContact O-N 2.97Å; N15-L48 HydrophobicContact CB-CD1 4.14Å
16I98.4Very high98.4Very high28 Ų2868.7 Ų68.714%0.14434%0.343CS..Hα-helixtrans-55.9-31.7-178.7-165.964.9000113.9V11 T12 P13 Q18 L19 K20 Y36 V39 L40V11-I16 HydrophobicContact CG1-CD1 3.52Å; T12-I16 PolarHBondContact O-N 2.89Å; P13-I16 WeakPolarHBondContact O-CG2 3.34Å; I16-Q18 VanDerWaalsContact C-N 3.29Å; I16-Q18 PolarHBondContact O-N 2.96Å; I16-L19 HydrophobicContact CD1-CD2 3.92Å; I16-L19 WeakPolarHBondContact O-CB 3.32Å; I16-L19 PolarHBondContact O-N 2.91Å; I16-K20 PolarHBondContact O-N 3.47Å; I16-Y36 HydrophobicContact CD1-CD1 4.16Å; I16-Y36 HydrophobicContact CG1-CD1 4.46Å; I16-V39 HydrophobicContact CD1-CG1 4.5Å; I16-L40 HydrophobicContact CB-CD2 4.42Å; I16-L40 HydrophobicContact CD1-CD2 4.06Å; I16-L40 HydrophobicContact CD1-CG 4.11Å; I16-L40 HydrophobicContact CG1-CD1 4.45Å; I16-L40 HydrophobicContact CG1-CD2 4.44Å; I16-L40 HydrophobicContact CG1-CG 4.44Å
17K98.1Very high98.4Very high167 Ų16768.8 Ų68.873%0.72634%0.342SS*.Hα-helixtrans-67.1-31.1175.3-69.4-176.8-178.2175.50112.1N15 K20 R21N15-K17 PolarHBondContact O-N 3.39Å; N15-K17 VanDerWaalsContact O-N 3.09Å; K17-K20 PolarHBondContact O-N 2.99Å; K17-R21 WeakPolarHBondContact O-CG 3.22Å; K17-R21 PolarHBondContact O-N 3.4Å; K17-R21 VanDerWaalsContact O-N 3.07Å
18Q98.3Very high98.2Very high80 Ų8068.6 Ų68.637%0.37435%0.348SS..Hα-helixtrans-68.4-43.5173.9-169.4174.229.400110.6N15 I16 K20 R21 L22 A55N15-Q18 WeakPolarHBondContact O-CA 3.31Å; N15-Q18 WeakPolarHBondContact O-CB 3.46Å; N15-Q18 PolarHBondContact O-N 2.93Å; I16-Q18 VanDerWaalsContact C-N 3.29Å; I16-Q18 PolarHBondContact O-N 2.96Å; Q18-K20 VanDerWaalsContact C-N 3.34Å; Q18-K20 PolarHBondContact O-N 2.8Å; Q18-R21 PolarHBondContact O-N 3.01Å; Q18-L22 WeakPolarHBondContact O-CG 3.37Å; Q18-L22 PolarHBondContact O-N 3.31Å; Q18-A55 VanDerWaalsContact CD-CB 3.48Å; Q18-A55 HydrophobicContact CG-CB 4.22Å
19L98.6Very high97.9Very high0 Ų068.3 Ų68.30%035%0.348CS..Hα-helixtrans-56.7-47.2171.8177.163.5000111.4V11 N15 I16 R21 L22 N23 Y36 V39 L48 A58V11-L19 HydrophobicContact CG1-CD2 3.89Å; V11-L19 HydrophobicContact CG2-CD2 4.17Å; N15-L19 PolarHBondContact O-N 2.97Å; I16-L19 HydrophobicContact CD1-CD2 3.92Å; I16-L19 WeakPolarHBondContact O-CB 3.32Å; I16-L19 PolarHBondContact O-N 2.91Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 3.47Å; L19-L22 PolarHBondContact O-N 3.41Å; L19-N23 PolarHBondContact O-N 2.89Å; L19-Y36 HydrophobicContact CD2-CD1 4.26Å; L19-Y36 HydrophobicContact CD2-CE1 4.42Å; L19-Y36 HydrophobicContact CG-CD1 4.48Å; L19-Y36 HydrophobicContact CG-CE1 4.22Å; L19-V39 HydrophobicContact CD2-CG1 3.78Å; L19-L48 HydrophobicContact CB-CD2 4.13Å; L19-L48 HydrophobicContact CD1-CD2 4.06Å; L19-A58 HydrophobicContact CD1-CB 3.23Å
20K98.5Very high97.7Very high67 Ų6771.8 Ų71.829%0.29137%0.37SS..Hα-helixtrans-57.8-43.3178-173.9164.4-174.9172.80112I16 K17 Q18 Q24 D33 Y36I16-K20 PolarHBondContact O-N 3.47Å; K17-K20 PolarHBondContact O-N 2.99Å; Q18-K20 VanDerWaalsContact C-N 3.34Å; Q18-K20 PolarHBondContact O-N 2.8Å; K20-Q24 WeakPolarHBondContact O-CB 3.37Å; K20-Q24 VanDerWaalsContact O-CG 3.24Å; K20-Q24 WeakPolarHBondContact O-CG 3.34Å; K20-Q24 PolarHBondContact O-N 2.9Å; K20-D33 IonicContact NZ-OD1 2.77Å; K20-D33 PolarHBondContact NZ-OD1 3.18Å; K20-Y36 HydrophobicContact CB-CD1 4.33Å; K20-Y36 HydrophobicContact CB-CE1 3.8Å; K20-Y36 HydrophobicContact CB-CE2 4.3Å; K20-Y36 HydrophobicContact CD-CD2 4.17Å; K20-Y36 HydrophobicContact CD-CE2 3.88Å; K20-Y36 HydrophobicContact CG-CD2 4.48Å; K20-Y36 HydrophobicContact CG-CE1 4.2Å; K20-Y36 HydrophobicContact CG-CE2 3.82Å
21R98.4Very high97.6Very high182 Ų18270.6 Ų70.669%0.68736%0.359SS*.Hα-helixtrans-65.1-44.6175.8-73.6-179.8179.4-153-0.3112.5K17 Q18 L19 Q24 V25K17-R21 WeakPolarHBondContact O-CG 3.22Å; K17-R21 PolarHBondContact O-N 3.4Å; K17-R21 VanDerWaalsContact O-N 3.07Å; Q18-R21 PolarHBondContact O-N 3.01Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 3.47Å; R21-Q24 PolarHBondContact O-N 3.1Å; R21-V25 WeakPolarHBondContact O-CG2 3.38Å; R21-V25 PolarHBondContact O-N 3.4Å
22L98.7Very high97.4Very high11 Ų1174.9 Ų74.96%0.05838%0.381CS..Hα-helixtrans-59.1-49.3176.6-75.3170000110.8Q18 L19 Q24 V25 I26 L48 A55 L80Q18-L22 WeakPolarHBondContact O-CG 3.37Å; Q18-L22 PolarHBondContact O-N 3.31Å; L19-L22 PolarHBondContact O-N 3.41Å; L22-Q24 VanDerWaalsContact C-N 3.32Å; L22-Q24 PolarHBondContact O-N 3.27Å; L22-V25 PolarHBondContact O-N 3.44Å; L22-V25 VanDerWaalsContact O-N 3.14Å; L22-I26 HydrophobicContact CB-CD1 4.09Å; L22-I26 HydrophobicContact CD2-CD1 4.35Å; L22-I26 WeakPolarHBondContact O-CB 3.48Å; L22-I26 WeakPolarHBondContact O-CD1 3.35Å; L22-I26 WeakPolarHBondContact O-CG1 3.47Å; L22-I26 PolarHBondContact O-N 3.41Å; L22-L48 HydrophobicContact CD1-CD2 3.79Å; L22-A55 HydrophobicContact CD1-CB 4.25Å; L22-L80 HydrophobicContact CD2-CD1 3.96Å; L22-L80 HydrophobicContact CD2-CD2 4.05Å; L22-L80 HydrophobicContact CD2-CG 3.86Å
23N98.5Very high97.3Very high1 Ų177.2 Ų77.21%0.00539%0.392CS..Hα-helixtrans-60.7-40.9179.8-75.4-2.5000112.4L19 V25 I26 F27L19-N23 PolarHBondContact O-N 2.89Å; N23-V25 VanDerWaalsContact C-N 3.28Å; N23-V25 PolarHBondContact O-N 3.14Å; N23-I26 PolarHBondContact O-N 3.19Å; N23-F27 HydrophobicContact CB-CD2 4.07Å; N23-F27 HydrophobicContact CB-CE2 4.45Å; N23-F27 WeakPolarHBondContact O-CD2 3.46Å; N23-F27 PolarHBondContact O-N 3.37Å; N23-F27 WeakPolarHBondContact OD1-CE2 3.44Å
24Q97.9Very high97.2Very high113 Ų11378.1 Ų78.153%0.52839%0.385SS..Hα-helixtrans-62.5-31.8177.1-77.9174.2-19.800113.6K20 R21 L22K20-Q24 WeakPolarHBondContact O-CB 3.37Å; K20-Q24 VanDerWaalsContact O-CG 3.24Å; K20-Q24 WeakPolarHBondContact O-CG 3.34Å; K20-Q24 PolarHBondContact O-N 2.9Å; R21-Q24 PolarHBondContact O-N 3.1Å; L22-Q24 VanDerWaalsContact C-N 3.32Å; L22-Q24 PolarHBondContact O-N 3.27Å
25V98.3Very high97.2Very high110 Ų11070.2 Ų70.267%0.66735%0.348SS*.Hα-helixtrans-85.8-36.3178.9175.40000111.5R21 L22 N23 L80R21-V25 WeakPolarHBondContact O-CG2 3.38Å; R21-V25 PolarHBondContact O-N 3.4Å; L22-V25 PolarHBondContact O-N 3.44Å; L22-V25 VanDerWaalsContact O-N 3.14Å; N23-V25 VanDerWaalsContact C-N 3.28Å; N23-V25 PolarHBondContact O-N 3.14Å; V25-L80 HydrophobicContact CB-CD2 4.2Å; V25-L80 HydrophobicContact CG1-CD2 3.69Å
26I98.4Very high97.2Very high23 Ų2369.7 Ų69.712%0.11834%0.344CS..Hα-helixtrans-82.5-38.9-171.9-66.4165.6000111.9L22 N23 L80L22-I26 HydrophobicContact CB-CD1 4.09Å; L22-I26 HydrophobicContact CD2-CD1 4.35Å; L22-I26 WeakPolarHBondContact O-CB 3.48Å; L22-I26 WeakPolarHBondContact O-CD1 3.35Å; L22-I26 WeakPolarHBondContact O-CG1 3.47Å; L22-I26 PolarHBondContact O-N 3.41Å; N23-I26 PolarHBondContact O-N 3.19Å; I26-L80 HydrophobicContact CD1-CD2 4.43Å; I26-L80 HydrophobicContact CG1-CD2 4.06Å
27F97.6Very high97.2Very high42 Ų4275.3 Ų75.318%0.18437%0.368CS..  trans-108.7143.3-171.7-57.4-71.2000111.9N23 V29 Y31 T76N23-F27 HydrophobicContact CB-CD2 4.07Å; N23-F27 HydrophobicContact CB-CE2 4.45Å; N23-F27 WeakPolarHBondContact O-CD2 3.46Å; N23-F27 PolarHBondContact O-N 3.37Å; N23-F27 WeakPolarHBondContact OD1-CE2 3.44Å; F27-V29 HydrophobicContact CB-CG2 4.48Å; F27-V29 PolarHBondContact O-N 3.41Å; F27-Y31 HydrophobicContact CB-CE2 4.43Å; F27-Y31 HydrophobicContact CD2-CE2 4.34Å; F27-T76 HydrophobicContact CD2-CG2 3.88Å; F27-T76 HydrophobicContact CE1-CG2 4.46Å; F27-T76 HydrophobicContact CE2-CG2 3.58Å; F27-T76 HydrophobicContact CG-CG2 4.47Å; F27-T76 HydrophobicContact CZ-CG2 3.91Å
28P94.6Very high97.1Very high85 Ų8570.7 Ų70.755%0.55235%0.351SS*.SBendtrans-77.14.2178.734.1-37.8000113.3I142P28-I142 HydrophobicContact CB-CD1 3.89Å; P28-I142 HydrophobicContact CB-CG2 4.34Å; P28-I142 HydrophobicContact CG-CD1 3.61Å
29V93.5Very high97.1Very high39 Ų3967 Ų6724%0.23633%0.333CS..SBendtrans-125.6142.4-179.3-63.40000111.1F27 Y31 Y139 I142F27-V29 HydrophobicContact CB-CG2 4.48Å; F27-V29 PolarHBondContact O-N 3.41Å; V29-Y31 HydrophobicContact CG2-CE2 3.96Å; V29-Y139 HydrophobicContact CG1-CD1 3.93Å; V29-Y139 HydrophobicContact CG1-CE1 4.32Å; V29-I142 HydrophobicContact CG1-CD1 4.08Å
30S93.6Very high97Very high92 Ų9269.5 Ų69.564%0.64335%0.347SS*.PPolyproline II helixtrans-91.4129.5176.3-57.60000111.2
31Y95.7Very high97Very high61 Ų6174 Ų7424%0.23937%0.369CS..PPolyproline II helixtrans-90.6142.1171.8-61.6-91.7000110.7F27 V29 F35 M75 T76F27-Y31 HydrophobicContact CB-CE2 4.43Å; F27-Y31 HydrophobicContact CD2-CE2 4.34Å; V29-Y31 HydrophobicContact CG2-CE2 3.96Å; Y31-F35 HydrophobicContact CD1-CB 4.49Å; Y31-F35 HydrophobicContact CD1-CD1 4.29Å; Y31-F35 AromaticContact CD1-CD2 3.63Å; Y31-F35 HydrophobicContact CD1-CD2 3.63Å; Y31-F35 HydrophobicContact CD1-CE1 4.48Å; Y31-F35 AromaticContact CD1-CE2 3.81Å; Y31-F35 HydrophobicContact CD1-CE2 3.81Å; Y31-F35 AromaticContact CD1-CG 3.88Å; Y31-F35 HydrophobicContact CD1-CG 3.88Å; Y31-F35 HydrophobicContact CD1-CZ 4.24Å; Y31-F35 HydrophobicContact CE1-CD2 4.29Å; Y31-F35 HydrophobicContact CE1-CE2 4.1Å; Y31-F35 HydrophobicContact CG-CD1 4.08Å; Y31-F35 HydrophobicContact CG-CD2 4.24Å; Y31-F35 HydrophobicContact CG-CE1 4.26Å; Y31-F35 HydrophobicContact CG-CE2 4.39Å; Y31-F35 HydrophobicContact CG-CG 4.08Å; Y31-F35 HydrophobicContact CG-CZ 4.4Å; Y31-M75 PolarHBondContact OH-O 2.92Å; Y31-T76 HydrophobicContact CD2-CG2 4.35Å; Y31-T76 HydrophobicContact CE1-CG2 4.03Å; Y31-T76 HydrophobicContact CE2-CG2 3.48Å; Y31-T76 VanDerWaalsContact CE2-CG2 3.48Å; Y31-T76 WeakPolarHBondContact OH-CG2 3.39Å
32N95.7Very high96.8Very high107 Ų10767.3 Ų67.357%0.57235%0.348SS*.PPolyproline II helixtrans-79.1173.5-179.466.616.8000112.1K34 F35 Y36N32-K34 PolarHBondContact O-N 3.15Å; N32-K34 PolarHBondContact OD1-N 3.39Å; N32-F35 WeakPolarHBondContact O-CB 3.34Å; N32-F35 PolarHBondContact O-N 3.29Å; N32-F35 PolarHBondContact OD1-N 2.9Å; N32-Y36 VanDerWaalsContact O-CD2 3.26Å; N32-Y36 WeakPolarHBondContact O-CD2 3.48Å
33D95.9Very high96.8Very high98 Ų9869 Ų6952%0.52437%0.369SS..Hα-helixtrans-68.2-24.7-178.6-66.2-29.9000113.3K20 F35 Y36 K37K20-D33 IonicContact NZ-OD1 2.77Å; K20-D33 PolarHBondContact NZ-OD1 3.18Å; D33-F35 VanDerWaalsContact C-N 3.35Å; D33-Y36 PolarHBondContact O-N 3.48Å; D33-K37 WeakPolarHBondContact O-CG 3.49Å; D33-K37 PolarHBondContact O-N 2.94Å
34K97.1Very high96.7Very high128 Ų12873.6 Ų73.656%0.55739%0.39SS*.Hα-helixtrans-61.6-43.4173.5175.3166.2173.247.70111.3N32 Y36 K37 D38N32-K34 PolarHBondContact O-N 3.15Å; N32-K34 PolarHBondContact OD1-N 3.39Å; K34-Y36 VanDerWaalsContact C-N 3.31Å; K34-Y36 PolarHBondContact O-N 2.81Å; K34-K37 PolarHBondContact O-N 2.88Å; K34-D38 WeakPolarHBondContact CE-OD2 3.49Å; K34-D38 WeakPolarHBondContact CG-OD2 3.45Å; K34-D38 VanDerWaalsContact NZ-CG 3.3Å; K34-D38 IonicContact NZ-OD1 2.89Å; K34-D38 PolarHBondContact NZ-OD1 3.47Å; K34-D38 IonicContact NZ-OD2 2.84Å; K34-D38 PolarHBondContact NZ-OD2 2.9Å; K34-D38 PolarHBondContact O-N 3.15Å
35F97.9Very high96.8Very high16 Ų1669.1 Ų69.17%0.0737%0.37CS..Hα-helixtrans-52.6-49.2174.9169.3-90.1000111.6Y31 N32 D33 K37 D38 V39 C60 M75 T76Y31-F35 HydrophobicContact CD1-CB 4.49Å; Y31-F35 HydrophobicContact CD1-CD1 4.29Å; Y31-F35 AromaticContact CD1-CD2 3.63Å; Y31-F35 HydrophobicContact CD1-CD2 3.63Å; Y31-F35 HydrophobicContact CD1-CE1 4.48Å; Y31-F35 AromaticContact CD1-CE2 3.81Å; Y31-F35 HydrophobicContact CD1-CE2 3.81Å; Y31-F35 AromaticContact CD1-CG 3.88Å; Y31-F35 HydrophobicContact CD1-CG 3.88Å; Y31-F35 HydrophobicContact CD1-CZ 4.24Å; Y31-F35 HydrophobicContact CE1-CD2 4.29Å; Y31-F35 HydrophobicContact CE1-CE2 4.1Å; Y31-F35 HydrophobicContact CG-CD1 4.08Å; Y31-F35 HydrophobicContact CG-CD2 4.24Å; Y31-F35 HydrophobicContact CG-CE1 4.26Å; Y31-F35 HydrophobicContact CG-CE2 4.39Å; Y31-F35 HydrophobicContact CG-CG 4.08Å; Y31-F35 HydrophobicContact CG-CZ 4.4Å; N32-F35 WeakPolarHBondContact O-CB 3.34Å; N32-F35 PolarHBondContact O-N 3.29Å; N32-F35 PolarHBondContact OD1-N 2.9Å; D33-F35 VanDerWaalsContact C-N 3.35Å; F35-K37 PolarHBondContact O-N 3.17Å; F35-D38 PolarHBondContact O-N 3.2Å; F35-V39 HydrophobicContact CD1-CG2 4.19Å; F35-V39 HydrophobicContact CD2-CG2 4.49Å; F35-V39 HydrophobicContact CE1-CG2 3.82Å; F35-V39 HydrophobicContact CE2-CG2 4.18Å; F35-V39 HydrophobicContact CZ-CG2 3.83Å; F35-V39 WeakPolarHBondContact O-CG2 3.31Å; F35-V39 PolarHBondContact O-N 3.46Å; F35-C60 HydrophobicContact CZ-CB 3.97Å; F35-M75 HydrophobicContact CD2-CE 4.28Å; F35-M75 HydrophobicContact CD2-SD 3.98Å; F35-M75 HydrophobicContact CE2-CB 3.88Å; F35-M75 HydrophobicContact CE2-CE 3.73Å; F35-M75 HydrophobicContact CE2-CG 4.44Å; F35-M75 HydrophobicContact CE2-SD 3.73Å; F35-T76 HydrophobicContact CZ-CG2 4.28Å
36Y98.2Very high96.8Very high13 Ų1364 Ų645%0.05134%0.339CS..Hα-helixtrans-71.4-30.2-177.7-63.6-73.2000113.4I16 L19 K20 N32 D33 K34I16-Y36 HydrophobicContact CD1-CD1 4.16Å; I16-Y36 HydrophobicContact CG1-CD1 4.46Å; L19-Y36 HydrophobicContact CD2-CD1 4.26Å; L19-Y36 HydrophobicContact CD2-CE1 4.42Å; L19-Y36 HydrophobicContact CG-CD1 4.48Å; L19-Y36 HydrophobicContact CG-CE1 4.22Å; K20-Y36 HydrophobicContact CB-CD1 4.33Å; K20-Y36 HydrophobicContact CB-CE1 3.8Å; K20-Y36 HydrophobicContact CB-CE2 4.3Å; K20-Y36 HydrophobicContact CD-CD2 4.17Å; K20-Y36 HydrophobicContact CD-CE2 3.88Å; K20-Y36 HydrophobicContact CG-CD2 4.48Å; K20-Y36 HydrophobicContact CG-CE1 4.2Å; K20-Y36 HydrophobicContact CG-CE2 3.82Å; N32-Y36 VanDerWaalsContact O-CD2 3.26Å; N32-Y36 WeakPolarHBondContact O-CD2 3.48Å; D33-Y36 PolarHBondContact O-N 3.48Å; K34-Y36 VanDerWaalsContact C-N 3.31Å; K34-Y36 PolarHBondContact O-N 2.81Å
37K97.1Very high96.8Very high147 Ų14763.5 Ų63.564%0.63934%0.336SS*.Hα-helixtrans-64.8-49.6170.1-72.1178.6-179.1-175.80110.6D33 K34 F35 V39 L40D33-K37 WeakPolarHBondContact O-CG 3.49Å; D33-K37 PolarHBondContact O-N 2.94Å; K34-K37 PolarHBondContact O-N 2.88Å; F35-K37 PolarHBondContact O-N 3.17Å; K37-V39 VanDerWaalsContact C-N 3.28Å; K37-V39 PolarHBondContact O-N 2.94Å; K37-L40 PolarHBondContact O-N 2.86Å; K37-L40 VanDerWaalsContact O-N 3.13Å
38D96.9Very high96.9Very high69 Ų6961.5 Ų61.537%0.36933%0.327SS..Hα-helixtrans-62.3-37.7-179.2-62.2-13000110.8K34 F35 L40 E41 V42K34-D38 WeakPolarHBondContact CE-OD2 3.49Å; K34-D38 WeakPolarHBondContact CG-OD2 3.45Å; K34-D38 VanDerWaalsContact NZ-CG 3.3Å; K34-D38 IonicContact NZ-OD1 2.89Å; K34-D38 PolarHBondContact NZ-OD1 3.47Å; K34-D38 IonicContact NZ-OD2 2.84Å; K34-D38 PolarHBondContact NZ-OD2 2.9Å; K34-D38 PolarHBondContact O-N 3.15Å; F35-D38 PolarHBondContact O-N 3.2Å; D38-L40 VanDerWaalsContact C-N 3.26Å; D38-L40 PolarHBondContact O-N 3.17Å; D38-E41 PolarHBondContact O-N 2.49Å; D38-V42 WeakPolarHBondContact O-CG1 3.28Å
39V97.3Very high97.1Very high2 Ų257.5 Ų57.51%0.01230%0.301CS..Hα-helixtrans-60.1-30176.2166.80000113.6V11 I16 L19 F35 K37 E41 V42 A46 C60 M75V11-V39 HydrophobicContact CB-CG1 4.35Å; V11-V39 HydrophobicContact CG1-CG1 3.97Å; V11-V39 HydrophobicContact CG2-CG1 4.45Å; I16-V39 HydrophobicContact CD1-CG1 4.5Å; L19-V39 HydrophobicContact CD2-CG1 3.78Å; F35-V39 HydrophobicContact CD1-CG2 4.19Å; F35-V39 HydrophobicContact CD2-CG2 4.49Å; F35-V39 HydrophobicContact CE1-CG2 3.82Å; F35-V39 HydrophobicContact CE2-CG2 4.18Å; F35-V39 HydrophobicContact CZ-CG2 3.83Å; F35-V39 WeakPolarHBondContact O-CG2 3.31Å; F35-V39 PolarHBondContact O-N 3.46Å; K37-V39 VanDerWaalsContact C-N 3.28Å; K37-V39 PolarHBondContact O-N 2.94Å; V39-E41 PolarHBondContact O-N 2.97Å; V39-V42 WeakPolarHBondContact O-CG2 2.97Å; V39-A46 HydrophobicContact CG1-CB 3.62Å; V39-C60 HydrophobicContact CG2-CB 4.05Å; V39-M75 HydrophobicContact CG2-CE 4.29Å
40L97.8Very high97.3Very high53 Ų5357.9 Ų57.928%0.27730%0.299SS..Hα-helixtrans-70.8-18.8177.6-71.5170.6000112.8V11 T12 P13 I16 K37 D38V11-L40 HydrophobicContact CG1-CD2 4.2Å; T12-L40 VanDerWaalsContact C-CD2 3.41Å; P13-L40 HydrophobicContact CG-CD1 4.49Å; P13-L40 HydrophobicContact CG-CD2 4.28Å; I16-L40 HydrophobicContact CB-CD2 4.42Å; I16-L40 HydrophobicContact CD1-CD2 4.06Å; I16-L40 HydrophobicContact CD1-CG 4.11Å; I16-L40 HydrophobicContact CG1-CD1 4.45Å; I16-L40 HydrophobicContact CG1-CD2 4.44Å; I16-L40 HydrophobicContact CG1-CG 4.44Å; K37-L40 PolarHBondContact O-N 2.86Å; K37-L40 VanDerWaalsContact O-N 3.13Å; D38-L40 VanDerWaalsContact C-N 3.26Å; D38-L40 PolarHBondContact O-N 3.17Å
41E97.4Very high97.5Very high162 Ų16254.9 Ų54.976%0.75727%0.274SS*.Hα-helixtrans-99.7-9.7-174.8-53.9-57.214100113.1D38 V39D38-E41 PolarHBondContact O-N 2.49Å; V39-E41 PolarHBondContact O-N 2.97Å
42V95.9Very high97.6Very high41 Ų4155.3 Ų55.325%0.24828%0.28CS..SBendtrans-88.3-1.5-175.2-58.80000114.5D38 V39 E44 L45 A46D38-V42 WeakPolarHBondContact O-CG1 3.28Å; V39-V42 WeakPolarHBondContact O-CG2 2.97Å; V42-E44 PolarHBondContact O-N 3.1Å; V42-L45 HydrophobicContact CB-CB 3.98Å; V42-L45 HydrophobicContact CB-CD1 4.48Å; V42-L45 HydrophobicContact CG2-CB 3.92Å; V42-L45 WeakPolarHBondContact O-CB 3.37Å; V42-L45 PolarHBondContact O-N 2.74Å; V42-A46 HydrophobicContact CG2-CB 3.74Å
43G97Very high97.6Very high48 Ų4855.1 Ų55.150%0.49528%0.279SS..G310 helixtrans55.6-122.9177.100000113.3L45 A46G43-L45 PolarHBondContact O-N 3.26Å; G43-A46 PolarHBondContact O-N 3.19Å; G43-A46 VanDerWaalsContact O-N 3.09Å
44E97.9Very high97.7Very high96 Ų9654.8 Ų54.845%0.44928%0.277SS..G310 helixtrans-60-16.5-175.5-71.1-60.2123.800114.9V42 A46 K47 H95 I99V42-E44 PolarHBondContact O-N 3.1Å; E44-A46 PolarHBondContact O-N 2.93Å; E44-K47 IonicContact OE1-NZ 3.19Å; E44-K47 PolarHBondContact OE1-NZ 3.1Å; E44-K47 WeakPolarHBondContact OE2-CE 3.45Å; E44-K47 IonicContact OE2-NZ 2.7Å; E44-K47 PolarHBondContact OE2-NZ 3.12Å; E44-H95 PolarHBondContact O-NE2 2.92Å; E44-H95 IonicContact OE2-CE1 3.95Å; E44-H95 PolarHBondContact OE2-CE1 2.81Å; E44-H95 VanDerWaalsContact OE2-CE1 3.27Å; E44-H95 IonicContact OE2-NE2 2.85Å; E44-I99 HydrophobicContact CB-CD1 3.75Å; E44-I99 VanDerWaalsContact O-CD1 3.31Å; E44-I99 WeakPolarHBondContact O-CD1 3.47Å
45L98.5Very high97.7Very high20 Ų2049.1 Ų49.111%0.10525%0.253CS..G310 helixtrans-76.1-3.7177.3-65.7-178.8000113.6V42 G43 C61 V63 L72 I99V42-L45 HydrophobicContact CB-CB 3.98Å; V42-L45 HydrophobicContact CB-CD1 4.48Å; V42-L45 HydrophobicContact CG2-CB 3.92Å; V42-L45 WeakPolarHBondContact O-CB 3.37Å; V42-L45 PolarHBondContact O-N 2.74Å; G43-L45 PolarHBondContact O-N 3.26Å; L45-C61 HydrophobicContact CB-CB 4.11Å; L45-C61 HydrophobicContact CD2-CB 4.36Å; L45-C61 PolarHBondContact O-N 3.33Å; L45-V63 HydrophobicContact CD1-CG2 4.07Å; L45-L72 HydrophobicContact CD1-CD1 3.99Å; L45-L72 HydrophobicContact CD2-CD1 3.74Å; L45-L72 HydrophobicContact CD2-CD2 4.23Å; L45-I99 HydrophobicContact CD2-CD1 4.11Å; L45-I99 HydrophobicContact CD2-CG2 3.95Å
46A98.8Very high97.8Very high2 Ų248.3 Ų48.32%0.01725%0.25CC..EExtended strand (participates in β ladder)trans-130125.9172.300000111.5V11 V39 V42 G43 E44 V59V11-A46 HydrophobicContact CB-CB 4.39Å; V11-A46 HydrophobicContact CG2-CB 3.96Å; V39-A46 HydrophobicContact CG1-CB 3.62Å; V42-A46 HydrophobicContact CG2-CB 3.74Å; G43-A46 PolarHBondContact O-N 3.19Å; G43-A46 VanDerWaalsContact O-N 3.09Å; E44-A46 PolarHBondContact O-N 2.93Å; A46-V59 VanDerWaalsContact CA-O 3.29Å; A46-V59 WeakPolarHBondContact CA-O 3.47Å
47K98.9Very high97.8Very high13 Ų1347.7 Ų47.76%0.05725%0.248CC..EExtended strand (participates in β ladder)trans-139.2143.4178.3-63.1-67177.5175.30111.2L8 G9 D10 E44 A58 V59L8-K47 HydrophobicContact CB-CB 4.29Å; L8-K47 HydrophobicContact CB-CG 4.43Å; G9-K47 WeakPolarHBondContact O-CA 3.13Å; G9-K47 WeakPolarHBondContact O-CD 3.47Å; D10-K47 IonicContact OD1-NZ 2.92Å; D10-K47 PolarHBondContact OD1-NZ 2.98Å; E44-K47 IonicContact OE1-NZ 3.19Å; E44-K47 PolarHBondContact OE1-NZ 3.1Å; E44-K47 WeakPolarHBondContact OE2-CE 3.45Å; E44-K47 IonicContact OE2-NZ 2.7Å; E44-K47 PolarHBondContact OE2-NZ 3.12Å; K47-A58 CarbonylContact O-C 3.49Å; K47-A58 VanDerWaalsContact O-CA 3.25Å; K47-A58 WeakPolarHBondContact O-CA 3.45Å; K47-V59 HydrophobicContact CB-CG1 4.08Å; K47-V59 PolarHBondContact N-O 3.32Å; K47-V59 PolarHBondContact O-N 2.92Å
48L98.9Very high97.9Very high0 Ų040.8 Ų40.80%022%0.218CC..EExtended strand (participates in β ladder)trans-83.3144.6159.5-71.4174.8000109.1L8 G9 V11 N15 L19 L22 Y50 A58L8-L48 CarbonylContact C-O 3.44Å; L8-L48 VanDerWaalsContact CA-O 3.31Å; L8-L48 WeakPolarHBondContact CA-O 3.31Å; G9-L48 PolarHBondContact N-O 2.91Å; G9-L48 PolarHBondContact O-N 2.96Å; V11-L48 HydrophobicContact CG2-CG 4.3Å; N15-L48 HydrophobicContact CB-CD1 4.14Å; L19-L48 HydrophobicContact CB-CD2 4.13Å; L19-L48 HydrophobicContact CD1-CD2 4.06Å; L22-L48 HydrophobicContact CD1-CD2 3.79Å; L48-Y50 HydrophobicContact CB-CD2 4.32Å; L48-Y50 HydrophobicContact CB-CE2 3.53Å; L48-Y50 HydrophobicContact CD1-CE2 4.48Å; L48-Y50 WeakPolarHBondContact CD1-OH 3.32Å; L48-A58 HydrophobicContact CD2-CB 4.05Å
49A98.8Very high98Very high0 Ų037.5 Ų37.50%020%0.2CC..EExtended strand (participates in β ladder)trans-107.512817300000110.5E7 L8 A55 V56 G57 I88 M92E7-A49 WeakPolarHBondContact O-CA 3.5Å; L8-A49 HydrophobicContact CD2-CB 3.85Å; A49-A55 WeakPolarHBondContact O-CA 3.44Å; A49-V56 PolarHBondContact O-N 2.74Å; A49-G57 PolarHBondContact N-O 2.91Å; A49-G57 PolarHBondContact O-N 2.87Å; A49-I88 HydrophobicContact CB-CG2 3.59Å; A49-M92 HydrophobicContact CB-CG 3.92Å; A49-M92 HydrophobicContact CB-SD 3.64Å
50Y98.7Very high98Very high48 Ų4837.4 Ų37.419%0.18820%0.199CC..EExtended strand (participates in β ladder)trans-110.1137-177.2-64.9-97.6000110.6I6 E7 L48 I54 A55I6-Y50 WeakPolarHBondContact CA-O 3.48Å; E7-Y50 PolarHBondContact N-O 3.27Å; E7-Y50 PolarHBondContact O-N 3.33Å; L48-Y50 HydrophobicContact CB-CD2 4.32Å; L48-Y50 HydrophobicContact CB-CE2 3.53Å; L48-Y50 HydrophobicContact CD1-CE2 4.48Å; L48-Y50 WeakPolarHBondContact CD1-OH 3.32Å; Y50-I54 CarbonylContact C-O 3.59Å; Y50-I54 VanDerWaalsContact CA-O 3.22Å; Y50-I54 WeakPolarHBondContact CA-O 3.46Å; Y50-A55 HydrophobicContact CD1-CB 3.91Å; Y50-A55 HydrophobicContact CE1-CB 3.6Å
51F98.1Very high98.1Very high28 Ų2834.9 Ų34.912%0.12319%0.186CC..EExtended strand (participates in β ladder)trans-121114.8170-177.6-86000108.1S4 R5 I6 D53 I54 V56 Y83 L86 I88S4-F51 WeakPolarHBondContact OG-CZ 3.24Å; R5-F51 WeakPolarHBondContact O-CA 3.37Å; I6-F51 HydrophobicContact CG1-CD2 4.03Å; I6-F51 HydrophobicContact CG1-CE2 4.48Å; F51-D53 VanDerWaalsContact C-N 3.28Å; F51-D53 PolarHBondContact O-N 2.83Å; F51-I54 PolarHBondContact N-O 3.44Å; F51-I54 PolarHBondContact O-N 3.2Å; F51-I54 VanDerWaalsContact O-N 3.12Å; F51-V56 HydrophobicContact CB-CG1 4.34Å; F51-V56 HydrophobicContact CB-CG2 3.7Å; F51-Y83 HydrophobicContact CB-CD1 4Å; F51-Y83 HydrophobicContact CB-CE1 4.25Å; F51-Y83 AromaticContact CD1-CD1 3.78Å; F51-Y83 HydrophobicContact CD1-CD1 3.78Å; F51-Y83 AromaticContact CD1-CE1 3.6Å; F51-Y83 HydrophobicContact CD1-CE1 3.6Å; F51-Y83 HydrophobicContact CD2-CD1 4.48Å; F51-Y83 HydrophobicContact CE1-CD1 4.35Å; F51-Y83 HydrophobicContact CE1-CE1 4.2Å; F51-Y83 AromaticContact CG-CD1 3.84Å; F51-Y83 HydrophobicContact CG-CD1 3.84Å; F51-Y83 HydrophobicContact CG-CE1 4.09Å; F51-L86 HydrophobicContact CD2-CD1 4.18Å; F51-L86 HydrophobicContact CE2-CB 4.44Å; F51-L86 HydrophobicContact CE2-CD1 3.66Å; F51-L86 HydrophobicContact CZ-CD1 3.95Å; F51-I88 HydrophobicContact CB-CD1 4.15Å; F51-I88 HydrophobicContact CD2-CD1 4.15Å
52N96.5Very high98.1Very high71 Ų7132.2 Ų32.238%0.3817%0.169SC..THydrogen-bonded Turntrans46.252.9-172.1-63.5-19.9000111.9S4 R5 I54S4-N52 WeakPolarHBondContact CA-OD1 3.33Å; R5-N52 PolarHBondContact N-OD1 3.11Å; R5-N52 PolarHBondContact O-N 3.08Å; N52-I54 PolarHBondContact O-N 2.91Å; N52-I54 VanDerWaalsContact O-N 3.1Å
53D95.4Very high98.2Very high102 Ų10233 Ų3355%0.54517%0.174SC..THydrogen-bonded Turntrans68.73.3176.2-50.5-59000115.4R5 F51R5-D53 IonicContact NH2-OD1 2.99Å; R5-D53 IonicContact NH2-OD2 2.98Å; R5-D53 PolarHBondContact NH2-OD2 3.05Å; F51-D53 VanDerWaalsContact C-N 3.28Å; F51-D53 PolarHBondContact O-N 2.83Å
54I97.8Very high98.2Very high92 Ų9232.2 Ų32.247%0.47216%0.158SC..EExtended strand (participates in β ladder)trans-98125.7173.9-56.5172.2000109.2Y50 F51 N52 V56Y50-I54 CarbonylContact C-O 3.59Å; Y50-I54 VanDerWaalsContact CA-O 3.22Å; Y50-I54 WeakPolarHBondContact CA-O 3.46Å; F51-I54 PolarHBondContact N-O 3.44Å; F51-I54 PolarHBondContact O-N 3.2Å; F51-I54 VanDerWaalsContact O-N 3.12Å; N52-I54 PolarHBondContact O-N 2.91Å; N52-I54 VanDerWaalsContact O-N 3.1Å; I54-V56 HydrophobicContact CB-CG1 4.28Å; I54-V56 HydrophobicContact CG2-CG1 3.88Å; I54-V56 WeakPolarHBondContact O-CG1 3.38Å; I54-V56 PolarHBondContact O-N 2.85Å
55A98.4Very high98.2Very high8 Ų834.7 Ų34.77%0.06617%0.17CC..EExtended strand (participates in β ladder)trans-71118.3173.400000110.1Q18 L22 A49 Y50Q18-A55 VanDerWaalsContact CD-CB 3.48Å; Q18-A55 HydrophobicContact CG-CB 4.22Å; L22-A55 HydrophobicContact CD1-CB 4.25Å; A49-A55 WeakPolarHBondContact O-CA 3.44Å; Y50-A55 HydrophobicContact CD1-CB 3.91Å; Y50-A55 HydrophobicContact CE1-CB 3.6Å
56V98.8Very high97.9Very high0 Ų035.1 Ų35.10%018%0.175CC..EExtended strand (participates in β ladder)trans-126.9-5.1-172.2-65.20000113.1A49 F51 I54 C79 L80 Y83 I88A49-V56 PolarHBondContact O-N 2.74Å; F51-V56 HydrophobicContact CB-CG1 4.34Å; F51-V56 HydrophobicContact CB-CG2 3.7Å; I54-V56 HydrophobicContact CB-CG1 4.28Å; I54-V56 HydrophobicContact CG2-CG1 3.88Å; I54-V56 WeakPolarHBondContact O-CG1 3.38Å; I54-V56 PolarHBondContact O-N 2.85Å; V56-C79 CarbonylContact O-C 3.55Å; V56-C79 WeakPolarHBondContact O-CA 3.49Å; V56-C79 VanDerWaalsContact O-CB 3.31Å; V56-C79 WeakPolarHBondContact O-CB 3.45Å; V56-L80 HydrophobicContact CB-CD1 4.44Å; V56-L80 WeakPolarHBondContact O-CG 3.46Å; V56-L80 PolarHBondContact O-N 2.6Å; V56-Y83 HydrophobicContact CB-CD1 4.29Å; V56-Y83 HydrophobicContact CB-CD2 3.89Å; V56-Y83 HydrophobicContact CB-CE2 4.31Å; V56-Y83 HydrophobicContact CB-CG 3.86Å; V56-Y83 HydrophobicContact CG1-CD1 3.83Å; V56-Y83 HydrophobicContact CG1-CD2 3.62Å; V56-Y83 HydrophobicContact CG1-CE1 3.76Å; V56-Y83 HydrophobicContact CG1-CE2 3.54Å; V56-Y83 HydrophobicContact CG1-CG 3.75Å; V56-Y83 HydrophobicContact CG2-CD1 4.36Å; V56-Y83 HydrophobicContact CG2-CG 4.19Å; V56-I88 HydrophobicContact CG2-CD1 3.62Å
57G98.8Very high97.5Very high0 Ų042 Ų420%021%0.207CC..EExtended strand (participates in β ladder)trans-162.4176.6177.700000112.3A49 G78A49-G57 PolarHBondContact N-O 2.91Å; A49-G57 PolarHBondContact O-N 2.87Å; G57-G78 CarbonylContact C-O 3.53Å; G57-G78 WeakPolarHBondContact CA-O 3.35Å
58A98.9Very high97.3Very high1 Ų149.7 Ų49.71%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-156156.9176.600000111.6L19 K47 L48 L77 G78L19-A58 HydrophobicContact CD1-CB 3.23Å; K47-A58 CarbonylContact O-C 3.49Å; K47-A58 VanDerWaalsContact O-CA 3.25Å; K47-A58 WeakPolarHBondContact O-CA 3.45Å; L48-A58 HydrophobicContact CD2-CB 4.05Å; A58-L77 WeakPolarHBondContact O-CA 3.39Å; A58-G78 PolarHBondContact N-O 3.01Å; A58-G78 PolarHBondContact O-N 2.86Å
59V98.9Very high97.1Very high0 Ų052.7 Ų52.70%026%0.262CS..EExtended strand (participates in β ladder)trans-127.2136.8165.660.60000109.1A46 K47 I74 T76 L77 M92 V96A46-V59 VanDerWaalsContact CA-O 3.29Å; A46-V59 WeakPolarHBondContact CA-O 3.47Å; K47-V59 HydrophobicContact CB-CG1 4.08Å; K47-V59 PolarHBondContact N-O 3.32Å; K47-V59 PolarHBondContact O-N 2.92Å; V59-I74 HydrophobicContact CG2-CG2 4.41Å; V59-T76 CarbonylContact C-O 3.52Å; V59-T76 VanDerWaalsContact CA-O 3.29Å; V59-T76 WeakPolarHBondContact CA-O 3.3Å; V59-L77 HydrophobicContact CB-CB 4.47Å; V59-L77 HydrophobicContact CB-CD1 4.44Å; V59-L77 HydrophobicContact CB-CG 4.25Å; V59-L77 HydrophobicContact CG2-CB 4.1Å; V59-L77 HydrophobicContact CG2-CD1 3.91Å; V59-L77 HydrophobicContact CG2-CG 4.08Å; V59-M92 HydrophobicContact CB-CB 4.08Å; V59-M92 HydrophobicContact CB-CG 4.42Å; V59-M92 HydrophobicContact CB-SD 4.17Å; V59-M92 HydrophobicContact CG1-CB 4.01Å; V59-M92 HydrophobicContact CG1-CG 4.21Å; V59-M92 HydrophobicContact CG1-SD 4.41Å; V59-V96 HydrophobicContact CG1-CG2 4.26Å; V59-V96 HydrophobicContact CG2-CG2 3.77Å
60C98.8Very high97Very high0 Ų055 Ų550%027%0.272CS..EExtended strand (participates in β ladder)trans-137.3120.8174.8-520000109.3F35 V39 M75 T76F35-C60 HydrophobicContact CZ-CB 3.97Å; V39-C60 HydrophobicContact CG2-CB 4.05Å; C60-M75 HydrophobicContact CB-CE 4.16Å; C60-M75 WeakPolarHBondContact O-CB 3.48Å; C60-M75 PolarHBondContact O-N 3.28Å; C60-T76 WeakPolarHBondContact CB-OG1 3.48Å; C60-T76 PolarHBondContact N-O 2.89Å; C60-T76 PolarHBondContact O-N 2.89Å
61C98.8Very high97Very high0 Ų053.2 Ų53.20%027%0.265CS..EExtended strand (participates in β ladder)trans-119.4162.4-179.9-59.20000110.9L45 L72 Y73L45-C61 HydrophobicContact CB-CB 4.11Å; L45-C61 HydrophobicContact CD2-CB 4.36Å; L45-C61 PolarHBondContact O-N 3.33Å; C61-L72 HydrophobicContact CB-CD1 4.19Å; C61-L72 HydrophobicContact CB-CD2 4.12Å; C61-L72 HydrophobicContact CB-CG 4.17Å; C61-Y73 CarbonylContact C-O 3.57Å; C61-Y73 VanDerWaalsContact CA-O 3.22Å; C61-Y73 WeakPolarHBondContact CA-O 3.48Å
62R97.9Very high97Very high106 Ų10651.9 Ų51.940%0.426%0.259SS..EExtended strand (participates in β ladder)trans-139.2154.6167.466.3176.2-175.5-115.52.6110.2Y73 M75R62-Y73 HydrophobicContact CG-CD1 4.1Å; R62-Y73 PolarHBondContact N-O 3.01Å; R62-Y73 PolarHBondContact O-N 2.97Å; R62-M75 HydrophobicContact CB-CE 4.1Å; R62-M75 HydrophobicContact CB-SD 4.21Å; R62-M75 HydrophobicContact CG-CE 4.42Å; R62-M75 HydrophobicContact CG-CG 4.12Å; R62-M75 HydrophobicContact CG-SD 3.92Å; R62-M75 PolarHBondContact NH1-SD 3.35Å
63V98.1Very high97.1Very high58 Ų5849.2 Ų49.235%0.35224%0.244SC..EExtended strand (participates in β ladder)trans-76.1132.6167.4-175.30000108.5L45 H65 K70 L72 F106L45-V63 HydrophobicContact CD1-CG2 4.07Å; V63-H65 WeakPolarHBondContact CG1-NE2 3.27Å; V63-K70 HydrophobicContact CG1-CG 4.05Å; V63-L72 HydrophobicContact CG2-CD1 4.42Å; V63-F106 HydrophobicContact CG1-CE1 4.16Å; V63-F106 HydrophobicContact CG2-CE1 4.08Å; V63-F106 HydrophobicContact CG2-CZ 3.97Å
64D97.7Very high97.3Very high31 Ų3144.6 Ų44.617%0.16622%0.219CC..EExtended strand (participates in β ladder)trans-121.4120.2178.3178.642.7000109.5S66 R71 Y110D64-S66 WeakPolarHBondContact OD2-CB 3.38Å; D64-S66 PolarHBondContact OD2-OG 3.3Å; D64-R71 HydrophobicContact CB-CB 4.37Å; D64-R71 PolarHBondContact N-O 3.33Å; D64-R71 PolarHBondContact O-N 3.3Å; D64-Y110 HydrophobicContact CB-CE1 4.29Å; D64-Y110 PolarHBondContact OD2-OH 3.18Å
65H96.4Very high97.3Very high148 Ų14841.3 Ų41.369%0.68520%0.202SC*.EExtended strand (participates in β ladder)trans-101.583.4175.1-67.2-85000108.3V63V63-H65 WeakPolarHBondContact CG1-NE2 3.27Å
66S92.8Very high97.3Very high30 Ų3041.1 Ų41.121%0.2120%0.2CC..EExtended strand (participates in β ladder)trans-130.1153.7-179.566.80000110D64 N68 Q69 R71D64-S66 WeakPolarHBondContact OD2-CB 3.38Å; D64-S66 PolarHBondContact OD2-OG 3.3Å; S66-N68 PolarHBondContact O-N 3.34Å; S66-N68 VanDerWaalsContact O-N 3.13Å; S66-Q69 PolarHBondContact N-O 3.24Å; S66-Q69 PolarHBondContact O-N 3.29Å; S66-R71 PolarHBondContact OG-NH1 2.86Å
67Q90.3Very high97.4Very high147 Ų14742.2 Ų42.269%0.68721%0.206SC*.THydrogen-bonded Turntrans55.832.3176.7-50.6-179.513.600114.2Q69Q67-Q69 PolarHBondContact O-N 3.24Å
68N93.8Very high97.3Very high174 Ų17442.8 Ų42.893%0.9321%0.212SC*.THydrogen-bonded Turntrans58.328-175.5-15544.4000114S66S66-N68 PolarHBondContact O-N 3.34Å; S66-N68 VanDerWaalsContact O-N 3.13Å
69Q95.3Very high97.3Very high63 Ų6343.3 Ų43.329%0.29422%0.216SC..EExtended strand (participates in β ladder)trans-124.5148.2178.6-69-179.5-21.300110.5S66 Q67 R71 D107 N108S66-Q69 PolarHBondContact N-O 3.24Å; S66-Q69 PolarHBondContact O-N 3.29Å; Q67-Q69 PolarHBondContact O-N 3.24Å; Q69-R71 HydrophobicContact CB-CG 3.7Å; Q69-D107 WeakPolarHBondContact CA-OD2 3.49Å; Q69-D107 HydrophobicContact CB-CB 3.89Å; Q69-D107 HydrophobicContact CG-CB 4.07Å; Q69-N108 PolarHBondContact OE1-ND2 2.92Å
70K97.6Very high97.3Very high49 Ų4945.2 Ų45.221%0.21323%0.226CC..EExtended strand (participates in β ladder)trans-90.7109.3164.5-176.8-174.3173.7-172.60107.6V63 D103 T105 F106 D107V63-K70 HydrophobicContact CG1-CG 4.05Å; K70-D103 IonicContact NZ-OD1 2.6Å; K70-D103 PolarHBondContact NZ-OD1 3.23Å; K70-D103 IonicContact NZ-OD2 2.74Å; K70-D103 PolarHBondContact NZ-OD2 3.25Å; K70-T105 VanDerWaalsContact CD-OG1 3.28Å; K70-T105 WeakPolarHBondContact CD-OG1 3.43Å; K70-T105 WeakPolarHBondContact CE-OG1 3.41Å; K70-T105 PolarHBondContact NZ-OG1 3.13Å; K70-F106 HydrophobicContact CD-CD1 4.33Å; K70-F106 HydrophobicContact CD-CE1 4.36Å; K70-F106 HydrophobicContact CG-CD1 3.95Å; K70-F106 HydrophobicContact CG-CE1 4.08Å; K70-F106 CarbonylContact O-C 3.56Å; K70-F106 WeakPolarHBondContact O-CA 3.22Å; K70-D107 PolarHBondContact N-OD2 3.24Å; K70-D107 PolarHBondContact O-N 3.31Å
71R98.2Very high97.3Very high9 Ų948.1 Ų48.13%0.03425%0.249CC..EExtended strand (participates in β ladder)trans-116.8147.5-173.4-53.917368.7-169.69.1110.1D64 S66 Q69 N108 Y110D64-R71 HydrophobicContact CB-CB 4.37Å; D64-R71 PolarHBondContact N-O 3.33Å; D64-R71 PolarHBondContact O-N 3.3Å; S66-R71 PolarHBondContact OG-NH1 2.86Å; Q69-R71 HydrophobicContact CB-CG 3.7Å; R71-N108 WeakPolarHBondContact CA-O 3.42Å; R71-N108 WeakPolarHBondContact CG-OD1 3.47Å; R71-N108 PolarHBondContact NE-OD1 2.84Å; R71-Y110 HydrophobicContact CB-CD1 4.06Å; R71-Y110 HydrophobicContact CB-CE1 3.87Å
72L98.6Very high97.2Very high0 Ų053.4 Ų53.40%028%0.284CS..EExtended strand (participates in β ladder)trans-97.9119.8167.8-16578.2000109.9L45 C61 V63 V96 C100 F106 N108 I109 Y110L45-L72 HydrophobicContact CD1-CD1 3.99Å; L45-L72 HydrophobicContact CD2-CD1 3.74Å; L45-L72 HydrophobicContact CD2-CD2 4.23Å; C61-L72 HydrophobicContact CB-CD1 4.19Å; C61-L72 HydrophobicContact CB-CD2 4.12Å; C61-L72 HydrophobicContact CB-CG 4.17Å; V63-L72 HydrophobicContact CG2-CD1 4.42Å; L72-V96 HydrophobicContact CD2-CG1 3.12Å; L72-C100 WeakPolarHBondContact CD2-SG 3.4Å; L72-F106 HydrophobicContact CB-CD1 3.86Å; L72-F106 HydrophobicContact CB-CE1 3.79Å; L72-F106 HydrophobicContact CB-CZ 4.46Å; L72-F106 HydrophobicContact CD1-CE1 3.77Å; L72-F106 HydrophobicContact CD1-CZ 3.84Å; L72-F106 HydrophobicContact CG-CE1 4.39Å; L72-N108 PolarHBondContact N-O 3.44Å; L72-I109 HydrophobicContact CB-CB 4.27Å; L72-I109 HydrophobicContact CB-CG1 4.1Å; L72-I109 HydrophobicContact CD2-CD1 3.84Å; L72-I109 HydrophobicContact CD2-CG1 4.3Å; L72-I109 CarbonylContact O-C 3.58Å; L72-I109 VanDerWaalsContact O-CA 3.28Å; L72-I109 WeakPolarHBondContact O-CA 3.27Å; L72-I109 WeakPolarHBondContact O-CG1 3.28Å; L72-Y110 PolarHBondContact O-N 2.95Å
73Y98.8Very high97.3Very high16 Ų1651.1 Ų51.16%0.06328%0.276CS..EExtended strand (participates in β ladder)trans-100.1116.9177.4-177.8-119.7000110.9C61 R62 M75 Y110 H112 Y138C61-Y73 CarbonylContact C-O 3.57Å; C61-Y73 VanDerWaalsContact CA-O 3.22Å; C61-Y73 WeakPolarHBondContact CA-O 3.48Å; R62-Y73 HydrophobicContact CG-CD1 4.1Å; R62-Y73 PolarHBondContact N-O 3.01Å; R62-Y73 PolarHBondContact O-N 2.97Å; Y73-M75 HydrophobicContact CD1-CB 4.46Å; Y73-M75 HydrophobicContact CD1-CG 3.53Å; Y73-M75 HydrophobicContact CE1-CB 4.26Å; Y73-M75 HydrophobicContact CE1-CG 3.68Å; Y73-M75 PolarHBondContact O-N 3.39Å; Y73-Y110 HydrophobicContact CD2-CD1 4.18Å; Y73-Y110 AromaticContact CD2-CD2 3.7Å; Y73-Y110 HydrophobicContact CD2-CD2 3.7Å; Y73-Y110 AromaticContact CD2-CE1 3.81Å; Y73-Y110 HydrophobicContact CD2-CE1 3.81Å; Y73-Y110 AromaticContact CD2-CE2 3.26Å; Y73-Y110 HydrophobicContact CD2-CE2 3.26Å; Y73-Y110 HydrophobicContact CD2-CG 4.15Å; Y73-Y110 AromaticContact CD2-CZ 3.33Å; Y73-Y110 WeakPolarHBondContact CD2-O 3.46Å; Y73-Y110 HydrophobicContact CE2-CD2 4.04Å; Y73-Y110 AromaticContact CE2-CE2 3.6Å; Y73-Y110 HydrophobicContact CE2-CE2 3.6Å; Y73-Y110 HydrophobicContact CG-CE1 4.2Å; Y73-Y110 HydrophobicContact CG-CE2 4.25Å; Y73-Y110 AromaticContact CG-CZ 3.89Å; Y73-H112 AromaticContact CE2-CE1 3.86Å; Y73-H112 AromaticContact CE2-ND1 3.36Å; Y73-H112 WeakPolarHBondContact CE2-ND1 3.46Å; Y73-H112 AromaticContact CZ-ND1 3.52Å; Y73-H112 PolarHBondContact OH-ND1 3.06Å; Y73-Y138 PolarHBondContact OH-OH 3.2Å
74I98.9Very high97.2Very high4 Ų454.7 Ų54.72%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-80.3106.7171.1-50.2177.8000108V59 L77 L93 I109 Y110 L111 Y124 F129V59-I74 HydrophobicContact CG2-CG2 4.41Å; I74-L77 HydrophobicContact CG2-CB 3.78Å; I74-L77 HydrophobicContact CG2-CD1 4.47Å; I74-L93 HydrophobicContact CD1-CD1 3.87Å; I74-I109 HydrophobicContact CD1-CD1 3.72Å; I74-I109 HydrophobicContact CD1-CG1 4.02Å; I74-I109 HydrophobicContact CG1-CD1 3.88Å; I74-I109 HydrophobicContact CG1-CG1 3.94Å; I74-Y110 PolarHBondContact N-O 2.82Å; I74-L111 HydrophobicContact CB-CB 4.12Å; I74-L111 HydrophobicContact CD1-CD2 4.07Å; I74-Y124 HydrophobicContact CD1-CE1 4.27Å; I74-F129 HydrophobicContact CD1-CZ 4.41Å
75M98.5Very high97.2Very high24 Ų2463.9 Ų63.912%0.11832%0.315CS..EExtended strand (participates in β ladder)trans-77.8-42.8-179.7-60-176.9-73.500111.7Y31 F35 V39 C60 R62 Y73Y31-M75 PolarHBondContact OH-O 2.92Å; F35-M75 HydrophobicContact CD2-CE 4.28Å; F35-M75 HydrophobicContact CD2-SD 3.98Å; F35-M75 HydrophobicContact CE2-CB 3.88Å; F35-M75 HydrophobicContact CE2-CE 3.73Å; F35-M75 HydrophobicContact CE2-CG 4.44Å; F35-M75 HydrophobicContact CE2-SD 3.73Å; V39-M75 HydrophobicContact CG2-CE 4.29Å; C60-M75 HydrophobicContact CB-CE 4.16Å; C60-M75 WeakPolarHBondContact O-CB 3.48Å; C60-M75 PolarHBondContact O-N 3.28Å; R62-M75 HydrophobicContact CB-CE 4.1Å; R62-M75 HydrophobicContact CB-SD 4.21Å; R62-M75 HydrophobicContact CG-CE 4.42Å; R62-M75 HydrophobicContact CG-CG 4.12Å; R62-M75 HydrophobicContact CG-SD 3.92Å; R62-M75 PolarHBondContact NH1-SD 3.35Å; Y73-M75 HydrophobicContact CD1-CB 4.46Å; Y73-M75 HydrophobicContact CD1-CG 3.53Å; Y73-M75 HydrophobicContact CE1-CB 4.26Å; Y73-M75 HydrophobicContact CE1-CG 3.68Å; Y73-M75 PolarHBondContact O-N 3.39Å
76T98.7Very high97.2Very high3 Ų360.7 Ų60.72%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-144.7134.5177.1500000109.6F27 Y31 F35 V59 C60F27-T76 HydrophobicContact CD2-CG2 3.88Å; F27-T76 HydrophobicContact CE1-CG2 4.46Å; F27-T76 HydrophobicContact CE2-CG2 3.58Å; F27-T76 HydrophobicContact CG-CG2 4.47Å; F27-T76 HydrophobicContact CZ-CG2 3.91Å; Y31-T76 HydrophobicContact CD2-CG2 4.35Å; Y31-T76 HydrophobicContact CE1-CG2 4.03Å; Y31-T76 HydrophobicContact CE2-CG2 3.48Å; Y31-T76 VanDerWaalsContact CE2-CG2 3.48Å; Y31-T76 WeakPolarHBondContact OH-CG2 3.39Å; F35-T76 HydrophobicContact CZ-CG2 4.28Å; V59-T76 CarbonylContact C-O 3.52Å; V59-T76 VanDerWaalsContact CA-O 3.29Å; V59-T76 WeakPolarHBondContact CA-O 3.3Å; C60-T76 WeakPolarHBondContact CB-OG1 3.48Å; C60-T76 PolarHBondContact N-O 2.89Å; C60-T76 PolarHBondContact O-N 2.89Å
77L98.8Very high97.5Very high23 Ų2360.9 Ų60.912%0.1231%0.309CS..EExtended strand (participates in β ladder)trans-146.9118.4166.1-175.5160.6000107.7A58 V59 I74 M92 L93 F123 Y124A58-L77 WeakPolarHBondContact O-CA 3.39Å; V59-L77 HydrophobicContact CB-CB 4.47Å; V59-L77 HydrophobicContact CB-CD1 4.44Å; V59-L77 HydrophobicContact CB-CG 4.25Å; V59-L77 HydrophobicContact CG2-CB 4.1Å; V59-L77 HydrophobicContact CG2-CD1 3.91Å; V59-L77 HydrophobicContact CG2-CG 4.08Å; I74-L77 HydrophobicContact CG2-CB 3.78Å; I74-L77 HydrophobicContact CG2-CD1 4.47Å; L77-M92 HydrophobicContact CD1-CB 4.32Å; L77-M92 HydrophobicContact CD2-CE 3.94Å; L77-M92 HydrophobicContact CG-CB 4.36Å; L77-M92 HydrophobicContact CG-CE 4.18Å; L77-L93 HydrophobicContact CD1-CB 4.01Å; L77-L93 HydrophobicContact CD1-CD1 4.26Å; L77-F123 HydrophobicContact CD2-CE1 4.26Å; L77-Y124 WeakPolarHBondContact CB-OH 3.38Å
78G98.5Very high97.9Very high13 Ų1353.9 Ų53.913%0.13428%0.277CS..EExtended strand (participates in β ladder)trans-174.4164.7-178.600000113.6G57 A58G57-G78 CarbonylContact C-O 3.53Å; G57-G78 WeakPolarHBondContact CA-O 3.35Å; A58-G78 PolarHBondContact N-O 3.01Å; A58-G78 PolarHBondContact O-N 2.86Å
79C98.6Very high98.1Very high12 Ų1246.4 Ų46.48%0.08124%0.24CC..EExtended strand (participates in β ladder)trans-136.3158.917361.40000110.6V56 R84 I88V56-C79 CarbonylContact O-C 3.55Å; V56-C79 WeakPolarHBondContact O-CA 3.49Å; V56-C79 VanDerWaalsContact O-CB 3.31Å; V56-C79 WeakPolarHBondContact O-CB 3.45Å; C79-R84 PolarHBondContact O-NE 2.95Å; C79-I88 HydrophobicContact CB-CG2 4.29Å
80L98.6Very high98.3Very high40 Ų4046 Ų4621%0.20924%0.242CC..  trans-54.1139.1175.1-66.2176.7000110.3L22 V25 I26 V56 P82 Y83L22-L80 HydrophobicContact CD2-CD1 3.96Å; L22-L80 HydrophobicContact CD2-CD2 4.05Å; L22-L80 HydrophobicContact CD2-CG 3.86Å; V25-L80 HydrophobicContact CB-CD2 4.2Å; V25-L80 HydrophobicContact CG1-CD2 3.69Å; I26-L80 HydrophobicContact CD1-CD2 4.43Å; I26-L80 HydrophobicContact CG1-CD2 4.06Å; V56-L80 HydrophobicContact CB-CD1 4.44Å; V56-L80 WeakPolarHBondContact O-CG 3.46Å; V56-L80 PolarHBondContact O-N 2.6Å; L80-P82 VanDerWaalsContact C-CD 3.43Å; L80-P82 VanDerWaalsContact C-N 3.34Å; L80-Y83 HydrophobicContact CB-CD2 3.99Å; L80-Y83 PolarHBondContact O-N 3.22Å
81A98.1Very high98.3Very high60 Ų6047.7 Ų47.750%0.49625%0.25SC..G310 helixtrans-51.5-41.9-17400000114.8Y83 R84A81-Y83 PolarHBondContact O-N 2.88Å; A81-Y83 VanDerWaalsContact O-N 3.13Å; A81-R84 WeakPolarHBondContact O-CB 3.48Å; A81-R84 PolarHBondContact O-N 2.83Å
82P98.3Very high98.4Very high112 Ų11247.3 Ų47.373%0.72725%0.248SC*.G310 helixtrans-64.2-16.1178.4-24.136.1000115.2L80L80-P82 VanDerWaalsContact C-CD 3.43Å; L80-P82 VanDerWaalsContact C-N 3.34Å
83Y98.2Very high98.4Very high58 Ų5847.3 Ų47.323%0.22725%0.248CC..G310 helixtrans-108.76.4-177.1-61.8-90.5000113F51 V56 L80 A81 L86 I88F51-Y83 HydrophobicContact CB-CD1 4Å; F51-Y83 HydrophobicContact CB-CE1 4.25Å; F51-Y83 AromaticContact CD1-CD1 3.78Å; F51-Y83 HydrophobicContact CD1-CD1 3.78Å; F51-Y83 AromaticContact CD1-CE1 3.6Å; F51-Y83 HydrophobicContact CD1-CE1 3.6Å; F51-Y83 HydrophobicContact CD2-CD1 4.48Å; F51-Y83 HydrophobicContact CE1-CD1 4.35Å; F51-Y83 HydrophobicContact CE1-CE1 4.2Å; F51-Y83 AromaticContact CG-CD1 3.84Å; F51-Y83 HydrophobicContact CG-CD1 3.84Å; F51-Y83 HydrophobicContact CG-CE1 4.09Å; V56-Y83 HydrophobicContact CB-CD1 4.29Å; V56-Y83 HydrophobicContact CB-CD2 3.89Å; V56-Y83 HydrophobicContact CB-CE2 4.31Å; V56-Y83 HydrophobicContact CB-CG 3.86Å; V56-Y83 HydrophobicContact CG1-CD1 3.83Å; V56-Y83 HydrophobicContact CG1-CD2 3.62Å; V56-Y83 HydrophobicContact CG1-CE1 3.76Å; V56-Y83 HydrophobicContact CG1-CE2 3.54Å; V56-Y83 HydrophobicContact CG1-CG 3.75Å; V56-Y83 HydrophobicContact CG2-CD1 4.36Å; V56-Y83 HydrophobicContact CG2-CG 4.19Å; L80-Y83 HydrophobicContact CB-CD2 3.99Å; L80-Y83 PolarHBondContact O-N 3.22Å; A81-Y83 PolarHBondContact O-N 2.88Å; A81-Y83 VanDerWaalsContact O-N 3.13Å; Y83-L86 HydrophobicContact CD1-CD1 4.39Å; Y83-I88 WeakPolarHBondContact O-CD1 3.5Å
84R97.8Very high98.4Very high132 Ų13249.6 Ų49.650%0.49826%0.261SS..THydrogen-bonded Turntrans-68.5159.9175.1-68.3177.2-175.3171.20.9110.6C79 A81 L86C79-R84 PolarHBondContact O-NE 2.95Å; A81-R84 WeakPolarHBondContact O-CB 3.48Å; A81-R84 PolarHBondContact O-N 2.83Å; R84-L86 PolarHBondContact O-N 2.82Å; R84-L86 VanDerWaalsContact O-N 3.11Å
85R96.8Very high98.4Very high224 Ų22451.2 Ų51.285%0.84527%0.269SS*.THydrogen-bonded Turntrans61.712.8179.7-51.8-62.2-65.9-106.9-6.1115.3
86L97.2Very high98.4Very high81 Ų8150.1 Ų50.142%0.42426%0.263SS..SBendtrans-96.79.8172.6-59.1176.4000113.4I6 F51 Y83 R84 I88I6-L86 WeakPolarHBondContact CD1-O 3.03Å; F51-L86 HydrophobicContact CD2-CD1 4.18Å; F51-L86 HydrophobicContact CE2-CB 4.44Å; F51-L86 HydrophobicContact CE2-CD1 3.66Å; F51-L86 HydrophobicContact CZ-CD1 3.95Å; Y83-L86 HydrophobicContact CD1-CD1 4.39Å; R84-L86 PolarHBondContact O-N 2.82Å; R84-L86 VanDerWaalsContact O-N 3.11Å; L86-I88 HydrophobicContact CB-CG1 4.32Å
87G97.9Very high98.4Very high34 Ų3451.1 Ų51.135%0.35127%0.269SS..SBendtrans84.12.4-179.200000115.6T90 K91G87-T90 WeakPolarHBondContact O-CB 3.22Å; G87-T90 PolarHBondContact O-N 2.9Å; G87-K91 PolarHBondContact O-N 2.8Å
88I98.6Very high98.4Very high1 Ų153.7 Ų53.71%0.00528%0.283CS..Hα-helixtrans-62.4-46.7-179.8-53.9-178000111.8I6 A49 F51 V56 C79 Y83 L86 T90 K91 M92I6-I88 HydrophobicContact CD1-CG1 4.08Å; I6-I88 HydrophobicContact CG2-CG1 4.05Å; A49-I88 HydrophobicContact CB-CG2 3.59Å; F51-I88 HydrophobicContact CB-CD1 4.15Å; F51-I88 HydrophobicContact CD2-CD1 4.15Å; V56-I88 HydrophobicContact CG2-CD1 3.62Å; C79-I88 HydrophobicContact CB-CG2 4.29Å; Y83-I88 WeakPolarHBondContact O-CD1 3.5Å; L86-I88 HydrophobicContact CB-CG1 4.32Å; I88-T90 VanDerWaalsContact C-N 3.33Å; I88-T90 PolarHBondContact O-N 3.06Å; I88-K91 PolarHBondContact O-N 3.27Å; I88-M92 HydrophobicContact CG2-CE 4.24Å; I88-M92 PolarHBondContact O-N 2.88Å
89G98.6Very high98.4Very high16 Ų1654.9 Ų54.917%0.16529%0.285CS..Hα-helixtrans-58.8-43.9175.900000112.4K91 M92 L93G89-K91 PolarHBondContact O-N 2.94Å; G89-M92 PolarHBondContact O-N 3.27Å; G89-L93 WeakPolarHBondContact O-CB 3.47Å; G89-L93 PolarHBondContact O-N 2.85Å
90T98.8Very high98.3Very high55 Ų5554.5 Ų54.534%0.33728%0.283SS..Hα-helixtrans-58.5-45.5174.6-59.60000111.7G87 I88 M92 L93 N94 F127G87-T90 WeakPolarHBondContact O-CB 3.22Å; G87-T90 PolarHBondContact O-N 2.9Å; I88-T90 VanDerWaalsContact C-N 3.33Å; I88-T90 PolarHBondContact O-N 3.06Å; T90-M92 PolarHBondContact O-N 3.25Å; T90-L93 PolarHBondContact O-N 3.13Å; T90-N94 VanDerWaalsContact O-CB 3.31Å; T90-N94 WeakPolarHBondContact O-CB 3.31Å; T90-N94 VanDerWaalsContact O-CG 3.3Å; T90-N94 PolarHBondContact O-N 2.8Å; T90-F127 HydrophobicContact CG2-CE1 4.16Å; T90-F127 HydrophobicContact CG2-CZ 3.75Å
91K98.8Very high98.3Very high85 Ų8559.9 Ų59.937%0.3731%0.307SS..Hα-helixtrans-61.2-45178.6-166.5-173.2178.795.50111.7I6 L8 G87 I88 G89 H95I6-K91 HydrophobicContact CB-CD 4.16Å; I6-K91 HydrophobicContact CG2-CB 4.49Å; I6-K91 HydrophobicContact CG2-CD 3.57Å; I6-K91 WeakPolarHBondContact O-CD 3.46Å; I6-K91 WeakPolarHBondContact O-CE 3.44Å; I6-K91 PolarHBondContact O-NZ 3.33Å; L8-K91 HydrophobicContact CD1-CG 4.42Å; L8-K91 HydrophobicContact CD2-CD 4.34Å; L8-K91 HydrophobicContact CG-CD 4.12Å; L8-K91 HydrophobicContact CG-CG 4.31Å; G87-K91 PolarHBondContact O-N 2.8Å; I88-K91 PolarHBondContact O-N 3.27Å; G89-K91 PolarHBondContact O-N 2.94Å; K91-H95 PolarHBondContact O-N 3.42Å; K91-H95 VanDerWaalsContact O-N 3.1Å
92M98.9Very high98.2Very high0 Ų065.7 Ų65.70%032%0.321CS..Hα-helixtrans-64.3-45.8177.4-70.3-174-62.200112.3L8 A49 V59 L77 I88 G89 T90 H95 V96L8-M92 HydrophobicContact CD2-CG 3.78Å; A49-M92 HydrophobicContact CB-CG 3.92Å; A49-M92 HydrophobicContact CB-SD 3.64Å; V59-M92 HydrophobicContact CB-CB 4.08Å; V59-M92 HydrophobicContact CB-CG 4.42Å; V59-M92 HydrophobicContact CB-SD 4.17Å; V59-M92 HydrophobicContact CG1-CB 4.01Å; V59-M92 HydrophobicContact CG1-CG 4.21Å; V59-M92 HydrophobicContact CG1-SD 4.41Å; L77-M92 HydrophobicContact CD1-CB 4.32Å; L77-M92 HydrophobicContact CD2-CE 3.94Å; L77-M92 HydrophobicContact CG-CB 4.36Å; L77-M92 HydrophobicContact CG-CE 4.18Å; I88-M92 HydrophobicContact CG2-CE 4.24Å; I88-M92 PolarHBondContact O-N 2.88Å; G89-M92 PolarHBondContact O-N 3.27Å; T90-M92 PolarHBondContact O-N 3.25Å; M92-H95 WeakPolarHBondContact O-CB 3.19Å; M92-H95 PolarHBondContact O-N 3.38Å; M92-V96 PolarHBondContact O-N 2.81Å
93L98.9Very high98.2Very high0 Ų063.7 Ų63.70%030%0.304CS..Hα-helixtrans-66.5-43.4-179.4-177.357.1000111.7I74 L77 G89 T90 H95 V96 L97 F123 Y124 F127 F129I74-L93 HydrophobicContact CD1-CD1 3.87Å; L77-L93 HydrophobicContact CD1-CB 4.01Å; L77-L93 HydrophobicContact CD1-CD1 4.26Å; G89-L93 WeakPolarHBondContact O-CB 3.47Å; G89-L93 PolarHBondContact O-N 2.85Å; T90-L93 PolarHBondContact O-N 3.13Å; L93-H95 VanDerWaalsContact C-N 3.31Å; L93-H95 PolarHBondContact O-N 3.48Å; L93-V96 PolarHBondContact O-N 3.06Å; L93-L97 HydrophobicContact CD1-CD1 4.44Å; L93-L97 HydrophobicContact CD1-CG 4.31Å; L93-L97 HydrophobicContact CG-CD1 4.03Å; L93-L97 HydrophobicContact CG-CG 4.37Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 2.87Å; L93-F123 HydrophobicContact CB-CE1 4.48Å; L93-F123 HydrophobicContact CB-CZ 4.12Å; L93-F123 HydrophobicContact CD2-CE1 3.75Å; L93-F123 HydrophobicContact CD2-CZ 3.82Å; L93-Y124 HydrophobicContact CD1-CE1 4.2Å; L93-Y124 HydrophobicContact CD2-CD1 4.01Å; L93-Y124 HydrophobicContact CD2-CE1 4.08Å; L93-F127 HydrophobicContact CD2-CB 3.88Å; L93-F127 HydrophobicContact CD2-CD1 3.76Å; L93-F127 HydrophobicContact CD2-CD2 3.53Å; L93-F127 HydrophobicContact CD2-CE1 4.17Å; L93-F127 HydrophobicContact CD2-CE2 3.98Å; L93-F127 HydrophobicContact CD2-CG 3.43Å; L93-F127 VanDerWaalsContact CD2-CG 3.43Å; L93-F127 HydrophobicContact CD2-CZ 4.28Å; L93-F127 HydrophobicContact CG-CD1 4.33Å; L93-F127 HydrophobicContact CG-CG 4.43Å; L93-F129 HydrophobicContact CD1-CE2 4.27Å; L93-F129 HydrophobicContact CD1-CZ 4.31Å; L93-F129 HydrophobicContact CD2-CE2 4.32Å
94N98.8Very high98.1Very high64 Ų6463.9 Ų63.934%0.34232%0.324SS..Hα-helixtrans-61.9-38.7176.5-76-11.8000112.2T90 V96 L97 N98 F127T90-N94 VanDerWaalsContact O-CB 3.31Å; T90-N94 WeakPolarHBondContact O-CB 3.31Å; T90-N94 VanDerWaalsContact O-CG 3.3Å; T90-N94 PolarHBondContact O-N 2.8Å; N94-V96 VanDerWaalsContact C-N 3.3Å; N94-V96 PolarHBondContact O-N 2.85Å; N94-L97 PolarHBondContact O-N 3.15Å; N94-N98 WeakPolarHBondContact O-CB 3.42Å; N94-N98 PolarHBondContact O-N 3.02Å; N94-N98 PolarHBondContact O-ND2 2.9Å; N94-N98 PolarHBondContact O-OD1 2.95Å; N94-F127 WeakPolarHBondContact OD1-CE1 3.48Å
95H98.8Very high98Very high39 Ų3961 Ų6118%0.18132%0.321CS..Hα-helixtrans-55.6-47.8173.7174.278.6000111.5L8 E44 K91 M92 L93 N98 I99L8-H95 HydrophobicContact CD1-CB 3.46Å; L8-H95 VanDerWaalsContact CD1-CB 3.46Å; E44-H95 PolarHBondContact O-NE2 2.92Å; E44-H95 IonicContact OE2-CE1 3.95Å; E44-H95 PolarHBondContact OE2-CE1 2.81Å; E44-H95 VanDerWaalsContact OE2-CE1 3.27Å; E44-H95 IonicContact OE2-NE2 2.85Å; K91-H95 PolarHBondContact O-N 3.42Å; K91-H95 VanDerWaalsContact O-N 3.1Å; M92-H95 WeakPolarHBondContact O-CB 3.19Å; M92-H95 PolarHBondContact O-N 3.38Å; L93-H95 VanDerWaalsContact C-N 3.31Å; L93-H95 PolarHBondContact O-N 3.48Å; H95-N98 PolarHBondContact O-N 3.25Å; H95-I99 WeakPolarHBondContact NE2-CD1 3.33Å; H95-I99 WeakPolarHBondContact O-CG1 3.49Å; H95-I99 PolarHBondContact O-N 2.94Å; H95-I99 VanDerWaalsContact O-N 3.15Å
96V98.7Very high98.1Very high0 Ų050.9 Ų50.90%028%0.283CS..Hα-helixtrans-67.7-42.8179.8176.70000112.2V59 L72 M92 L93 N94 N98 I99 C100 I109V59-V96 HydrophobicContact CG1-CG2 4.26Å; V59-V96 HydrophobicContact CG2-CG2 3.77Å; L72-V96 HydrophobicContact CD2-CG1 3.12Å; M92-V96 PolarHBondContact O-N 2.81Å; L93-V96 PolarHBondContact O-N 3.06Å; N94-V96 VanDerWaalsContact C-N 3.3Å; N94-V96 PolarHBondContact O-N 2.85Å; V96-N98 VanDerWaalsContact C-N 3.32Å; V96-N98 PolarHBondContact O-N 3.25Å; V96-I99 WeakPolarHBondContact O-CB 3.1Å; V96-I99 PolarHBondContact O-N 2.96Å; V96-C100 PolarHBondContact O-N 3.09Å; V96-C100 VanDerWaalsContact O-N 3.14Å; V96-I109 HydrophobicContact CG1-CD1 3.67Å
97L98.6Very high98.1Very high25 Ų2547.5 Ų47.513%0.13127%0.266CS..Hα-helixtrans-60.5-41.8175.8-69.9172.1000111.6L93 N94 I99 C100 E101 I109 F127 K152L93-L97 HydrophobicContact CD1-CD1 4.44Å; L93-L97 HydrophobicContact CD1-CG 4.31Å; L93-L97 HydrophobicContact CG-CD1 4.03Å; L93-L97 HydrophobicContact CG-CG 4.37Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 2.87Å; N94-L97 PolarHBondContact O-N 3.15Å; L97-I99 VanDerWaalsContact C-N 3.29Å; L97-I99 PolarHBondContact O-N 2.98Å; L97-C100 WeakPolarHBondContact O-CB 3.25Å; L97-C100 PolarHBondContact O-N 3.08Å; L97-C100 VanDerWaalsContact O-N 3.15Å; L97-E101 PolarHBondContact O-N 3.23Å; L97-I109 HydrophobicContact CD2-CD1 4.23Å; L97-I109 HydrophobicContact CD2-CG2 4.03Å; L97-F127 HydrophobicContact CD1-CD1 4.21Å; L97-K152 HydrophobicContact CD2-CD 4.18Å
98N98.6Very high98.1Very high77 Ų7746 Ų4641%0.41225%0.25SC..Hα-helixtrans-63.9-33.2177.1-68.5-10000112.3N94 H95 V96 K102N94-N98 WeakPolarHBondContact O-CB 3.42Å; N94-N98 PolarHBondContact O-N 3.02Å; N94-N98 PolarHBondContact O-ND2 2.9Å; N94-N98 PolarHBondContact O-OD1 2.95Å; H95-N98 PolarHBondContact O-N 3.25Å; V96-N98 VanDerWaalsContact C-N 3.32Å; V96-N98 PolarHBondContact O-N 3.25Å; N98-K102 WeakPolarHBondContact O-CB 3.29Å; N98-K102 VanDerWaalsContact O-CG 3.24Å; N98-K102 WeakPolarHBondContact O-CG 3.11Å; N98-K102 PolarHBondContact O-N 3.24Å
99I98.3Very high98.1Very high37 Ų3746 Ų4619%0.1925%0.25CC..Hα-helixtrans-64.1-47.7172.7-68.3166.8000109.8E44 L45 H95 V96 L97 E101 K102 D103E44-I99 HydrophobicContact CB-CD1 3.75Å; E44-I99 VanDerWaalsContact O-CD1 3.31Å; E44-I99 WeakPolarHBondContact O-CD1 3.47Å; L45-I99 HydrophobicContact CD2-CD1 4.11Å; L45-I99 HydrophobicContact CD2-CG2 3.95Å; H95-I99 WeakPolarHBondContact NE2-CD1 3.33Å; H95-I99 WeakPolarHBondContact O-CG1 3.49Å; H95-I99 PolarHBondContact O-N 2.94Å; H95-I99 VanDerWaalsContact O-N 3.15Å; V96-I99 WeakPolarHBondContact O-CB 3.1Å; V96-I99 PolarHBondContact O-N 2.96Å; L97-I99 VanDerWaalsContact C-N 3.29Å; L97-I99 PolarHBondContact O-N 2.98Å; I99-E101 VanDerWaalsContact C-N 3.34Å; I99-E101 PolarHBondContact O-N 2.87Å; I99-K102 PolarHBondContact O-N 2.83Å; I99-D103 WeakPolarHBondContact O-CB 3.29Å; I99-D103 PolarHBondContact O-N 2.95Å
100C97.9Very high98.2Very high5 Ų546 Ų463%0.03425%0.245CC..Hα-helixtrans-61.9-42.4178.5-680000112.6L72 V96 L97 D103 G104 F106 L154L72-C100 WeakPolarHBondContact CD2-SG 3.4Å; V96-C100 PolarHBondContact O-N 3.09Å; V96-C100 VanDerWaalsContact O-N 3.14Å; L97-C100 WeakPolarHBondContact O-CB 3.25Å; L97-C100 PolarHBondContact O-N 3.08Å; L97-C100 VanDerWaalsContact O-N 3.15Å; C100-D103 PolarHBondContact O-N 2.94Å; C100-G104 PolarHBondContact O-N 2.9Å; C100-F106 HydrophobicContact CB-CB 4.48Å; C100-F106 HydrophobicContact CB-CD2 4.05Å; C100-F106 HydrophobicContact CB-CG 4.46Å; C100-L154 HydrophobicContact CB-CD1 3.64Å
101E97Very high98.2Very high152 Ų15243.8 Ų43.871%0.7123%0.231SC*.Hα-helixtrans-62.3-45.3177.9-176.3179.6-159.600111.6L97 I99 G104L97-E101 PolarHBondContact O-N 3.23Å; I99-E101 VanDerWaalsContact C-N 3.34Å; I99-E101 PolarHBondContact O-N 2.87Å; E101-G104 PolarHBondContact O-N 2.97Å
102K97.5Very high98.2Very high183 Ų18341 Ų4180%0.79622%0.219SC*.Hα-helixtrans-68-36.5178.1-73.2176-178.3-177.40113.4N98 I99N98-K102 WeakPolarHBondContact O-CB 3.29Å; N98-K102 VanDerWaalsContact O-CG 3.24Å; N98-K102 WeakPolarHBondContact O-CG 3.11Å; N98-K102 PolarHBondContact O-N 3.24Å; I99-K102 PolarHBondContact O-N 2.83Å
103D96.8Very high98.1Very high70 Ų7041.4 Ų41.437%0.37422%0.221SC..Hα-helixtrans-69.4-41.3175.5174.5-62.8000110.7K70 I99 C100 T105 F106K70-D103 IonicContact NZ-OD1 2.6Å; K70-D103 PolarHBondContact NZ-OD1 3.23Å; K70-D103 IonicContact NZ-OD2 2.74Å; K70-D103 PolarHBondContact NZ-OD2 3.25Å; I99-D103 WeakPolarHBondContact O-CB 3.29Å; I99-D103 PolarHBondContact O-N 2.95Å; C100-D103 PolarHBondContact O-N 2.94Å; D103-T105 PolarHBondContact O-N 2.85Å; D103-T105 VanDerWaalsContact O-N 3.1Å; D103-T105 WeakPolarHBondContact OD1-CB 3.34Å; D103-T105 PolarHBondContact OD1-N 3.38Å; D103-T105 PolarHBondContact OD1-OG1 2.96Å; D103-F106 HydrophobicContact CB-CD2 4.06Å; D103-F106 HydrophobicContact CB-CE2 3.9Å
104G96.3Very high98.1Very high62 Ų6242.7 Ų42.764%0.63923%0.227SC*.  trans72.1-4.4173.400000115.7C100 E101C100-G104 PolarHBondContact O-N 2.9Å; E101-G104 PolarHBondContact O-N 2.97Å
105T96.9Very high98.1Very high72 Ų7242.3 Ų42.344%0.44223%0.225SC..  trans-103.8-5.2-176.970.90000114.2K70 D103K70-T105 VanDerWaalsContact CD-OG1 3.28Å; K70-T105 WeakPolarHBondContact CD-OG1 3.43Å; K70-T105 WeakPolarHBondContact CE-OG1 3.41Å; K70-T105 PolarHBondContact NZ-OG1 3.13Å; D103-T105 PolarHBondContact O-N 2.85Å; D103-T105 VanDerWaalsContact O-N 3.1Å; D103-T105 WeakPolarHBondContact OD1-CB 3.34Å; D103-T105 PolarHBondContact OD1-N 3.38Å; D103-T105 PolarHBondContact OD1-OG1 2.96Å
106F98Very high98.1Very high10 Ų1043.4 Ų43.44%0.04424%0.237CC..  trans-73.3130.2177-71.6-82.8000111.8V63 K70 L72 C100 D103 L154V63-F106 HydrophobicContact CG1-CE1 4.16Å; V63-F106 HydrophobicContact CG2-CE1 4.08Å; V63-F106 HydrophobicContact CG2-CZ 3.97Å; K70-F106 HydrophobicContact CD-CD1 4.33Å; K70-F106 HydrophobicContact CD-CE1 4.36Å; K70-F106 HydrophobicContact CG-CD1 3.95Å; K70-F106 HydrophobicContact CG-CE1 4.08Å; K70-F106 CarbonylContact O-C 3.56Å; K70-F106 WeakPolarHBondContact O-CA 3.22Å; L72-F106 HydrophobicContact CB-CD1 3.86Å; L72-F106 HydrophobicContact CB-CE1 3.79Å; L72-F106 HydrophobicContact CB-CZ 4.46Å; L72-F106 HydrophobicContact CD1-CE1 3.77Å; L72-F106 HydrophobicContact CD1-CZ 3.84Å; L72-F106 HydrophobicContact CG-CE1 4.39Å; C100-F106 HydrophobicContact CB-CB 4.48Å; C100-F106 HydrophobicContact CB-CD2 4.05Å; C100-F106 HydrophobicContact CB-CG 4.46Å; D103-F106 HydrophobicContact CB-CD2 4.06Å; D103-F106 HydrophobicContact CB-CE2 3.9Å; F106-L154 HydrophobicContact CB-CD1 3.82Å
107D97.9Very high98Very high11 Ų1146.8 Ų46.86%0.05926%0.255CS..SBendtrans-68.9-46.8173.5-72.9-90.3000112Q69 K70 L154 R155Q69-D107 WeakPolarHBondContact CA-OD2 3.49Å; Q69-D107 HydrophobicContact CB-CB 3.89Å; Q69-D107 HydrophobicContact CG-CB 4.07Å; K70-D107 PolarHBondContact N-OD2 3.24Å; K70-D107 PolarHBondContact O-N 3.31Å; D107-L154 PolarHBondContact O-N 2.8Å; D107-R155 VanDerWaalsContact CG-CZ 3.44Å; D107-R155 VanDerWaalsContact CG-NH2 3.3Å; D107-R155 PolarHBondContact O-N 2.89Å; D107-R155 IonicContact OD1-CZ 3.67Å; D107-R155 IonicContact OD1-NE 3.79Å; D107-R155 PolarHBondContact OD1-NE 2.69Å; D107-R155 IonicContact OD1-NH1 3.06Å; D107-R155 PolarHBondContact OD1-NH1 3.3Å; D107-R155 IonicContact OD1-NH2 3.17Å; D107-R155 PolarHBondContact OD1-NH2 3Å; D107-R155 IonicContact OD2-CZ 3.27Å; D107-R155 IonicContact OD2-NH2 2.86Å; D107-R155 PolarHBondContact OD2-NH2 2.77Å
108N98.4Very high98Very high3 Ų352.4 Ų52.42%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-159.2165.3-176.358.480.2000111.2Q69 R71 L72 Q151 K152Q69-N108 PolarHBondContact OE1-ND2 2.92Å; R71-N108 WeakPolarHBondContact CA-O 3.42Å; R71-N108 WeakPolarHBondContact CG-OD1 3.47Å; R71-N108 PolarHBondContact NE-OD1 2.84Å; L72-N108 PolarHBondContact N-O 3.44Å; N108-Q151 HydrophobicContact CB-CG 3.81Å; N108-Q151 PolarHBondContact OD1-OE1 3.44Å; N108-K152 VanDerWaalsContact CA-O 3.3Å; N108-K152 WeakPolarHBondContact CA-O 3.46Å; N108-K152 VanDerWaalsContact CB-O 3.27Å; N108-K152 WeakPolarHBondContact CB-O 3.26Å
109I98.8Very high98Very high0 Ų052.3 Ų52.30%029%0.286CS..EExtended strand (participates in β ladder)trans-118.8138169.1-178.6171.4000108.6L72 I74 V96 L97 F129 Q151 K152 L154L72-I109 HydrophobicContact CB-CB 4.27Å; L72-I109 HydrophobicContact CB-CG1 4.1Å; L72-I109 HydrophobicContact CD2-CD1 3.84Å; L72-I109 HydrophobicContact CD2-CG1 4.3Å; L72-I109 CarbonylContact O-C 3.58Å; L72-I109 VanDerWaalsContact O-CA 3.28Å; L72-I109 WeakPolarHBondContact O-CA 3.27Å; L72-I109 WeakPolarHBondContact O-CG1 3.28Å; I74-I109 HydrophobicContact CD1-CD1 3.72Å; I74-I109 HydrophobicContact CD1-CG1 4.02Å; I74-I109 HydrophobicContact CG1-CD1 3.88Å; I74-I109 HydrophobicContact CG1-CG1 3.94Å; V96-I109 HydrophobicContact CG1-CD1 3.67Å; L97-I109 HydrophobicContact CD2-CD1 4.23Å; L97-I109 HydrophobicContact CD2-CG2 4.03Å; I109-F129 HydrophobicContact CB-CZ 4.45Å; I109-F129 HydrophobicContact CD1-CZ 4.29Å; I109-F129 HydrophobicContact CG1-CE1 4.33Å; I109-F129 HydrophobicContact CG1-CZ 4.15Å; I109-F129 HydrophobicContact CG2-CE1 3.9Å; I109-F129 HydrophobicContact CG2-CE2 4.45Å; I109-F129 HydrophobicContact CG2-CZ 3.58Å; I109-F129 WeakPolarHBondContact O-CE1 3.42Å; I109-Q151 WeakPolarHBondContact O-CA 3.45Å; I109-K152 HydrophobicContact CG2-CB 3.83Å; I109-K152 HydrophobicContact CG2-CD 4.49Å; I109-K152 HydrophobicContact CG2-CG 4.47Å; I109-K152 PolarHBondContact N-O 3.25Å; I109-K152 PolarHBondContact O-N 3.04Å; I109-L154 HydrophobicContact CB-CD1 4.15Å; I109-L154 HydrophobicContact CG2-CD1 4.15Å; I109-L154 HydrophobicContact CG2-CD2 4.16Å; I109-L154 HydrophobicContact CG2-CG 4.24Å
110Y98.8Very high98Very high17 Ų1751.5 Ų51.57%0.06728%0.284CS..EExtended strand (participates in β ladder)trans-149165.5-175.281.6-77.9000113.5D64 R71 L72 Y73 I74 V149 L150D64-Y110 HydrophobicContact CB-CE1 4.29Å; D64-Y110 PolarHBondContact OD2-OH 3.18Å; R71-Y110 HydrophobicContact CB-CD1 4.06Å; R71-Y110 HydrophobicContact CB-CE1 3.87Å; L72-Y110 PolarHBondContact O-N 2.95Å; Y73-Y110 HydrophobicContact CD2-CD1 4.18Å; Y73-Y110 AromaticContact CD2-CD2 3.7Å; Y73-Y110 HydrophobicContact CD2-CD2 3.7Å; Y73-Y110 AromaticContact CD2-CE1 3.81Å; Y73-Y110 HydrophobicContact CD2-CE1 3.81Å; Y73-Y110 AromaticContact CD2-CE2 3.26Å; Y73-Y110 HydrophobicContact CD2-CE2 3.26Å; Y73-Y110 HydrophobicContact CD2-CG 4.15Å; Y73-Y110 AromaticContact CD2-CZ 3.33Å; Y73-Y110 WeakPolarHBondContact CD2-O 3.46Å; Y73-Y110 HydrophobicContact CE2-CD2 4.04Å; Y73-Y110 AromaticContact CE2-CE2 3.6Å; Y73-Y110 HydrophobicContact CE2-CE2 3.6Å; Y73-Y110 HydrophobicContact CG-CE1 4.2Å; Y73-Y110 HydrophobicContact CG-CE2 4.25Å; Y73-Y110 AromaticContact CG-CZ 3.89Å; I74-Y110 PolarHBondContact N-O 2.82Å; Y110-V149 HydrophobicContact CD2-CG1 4.03Å; Y110-L150 CarbonylContact C-O 3.6Å; Y110-L150 WeakPolarHBondContact CA-O 3.42Å; Y110-L150 VanDerWaalsContact CB-O 3.32Å; Y110-L150 WeakPolarHBondContact CB-O 3.41Å
111L98.9Very high98Very high7 Ų752 Ų524%0.03729%0.287CS..EExtended strand (participates in β ladder)trans-155.5167.6178.164.8104.4000112.2I74 V113 Y124 F129 V149 L150I74-L111 HydrophobicContact CB-CB 4.12Å; I74-L111 HydrophobicContact CD1-CD2 4.07Å; L111-V113 HydrophobicContact CD1-CB 3.9Å; L111-V113 HydrophobicContact CD1-CG1 4.49Å; L111-Y124 HydrophobicContact CD1-CD2 4.06Å; L111-Y124 HydrophobicContact CD1-CE2 3.76Å; L111-Y124 HydrophobicContact CD2-CD1 3.6Å; L111-Y124 HydrophobicContact CD2-CD2 3.84Å; L111-Y124 HydrophobicContact CD2-CE1 3.26Å; L111-Y124 HydrophobicContact CD2-CE2 3.54Å; L111-Y124 HydrophobicContact CD2-CG 3.88Å; L111-Y124 HydrophobicContact CG-CE2 4.32Å; L111-F129 HydrophobicContact CD2-CD1 4.38Å; L111-F129 HydrophobicContact CD2-CE1 4.13Å; L111-V149 WeakPolarHBondContact O-CA 3.44Å; L111-L150 HydrophobicContact CD1-CB 4.38Å; L111-L150 HydrophobicContact CG-CB 4.19Å; L111-L150 PolarHBondContact N-O 3.09Å; L111-L150 PolarHBondContact O-N 3.11Å
112H98.7Very high98.1Very high27 Ų2748.8 Ų48.813%0.12528%0.275CS..EExtended strand (participates in β ladder)trans-105.9135.1167.4-61.385.7000109.9Y73 K135 Y138 A147 H148Y73-H112 AromaticContact CE2-CE1 3.86Å; Y73-H112 AromaticContact CE2-ND1 3.36Å; Y73-H112 WeakPolarHBondContact CE2-ND1 3.46Å; Y73-H112 AromaticContact CZ-ND1 3.52Å; Y73-H112 PolarHBondContact OH-ND1 3.06Å; H112-K135 PolarHBondContact NE2-NZ 3.14Å; H112-Y138 HydrophobicContact CB-CE1 4.02Å; H112-Y138 HydrophobicContact CB-CE2 4.36Å; H112-Y138 AromaticContact CD2-CD2 3.85Å; H112-Y138 AromaticContact CD2-CE2 3.35Å; H112-Y138 WeakPolarHBondContact CD2-CE2 3.14Å; H112-Y138 AromaticContact CD2-CZ 3.72Å; H112-Y138 AromaticContact CE1-CE2 3.93Å; H112-Y138 AromaticContact CG-CE2 3.68Å; H112-Y138 AromaticContact CG-CZ 3.53Å; H112-Y138 AromaticContact ND1-CE2 4Å; H112-Y138 AromaticContact ND1-CZ 3.83Å; H112-Y138 PolarHBondContact ND1-OH 2.9Å; H112-Y138 AromaticContact NE2-CE2 3.52Å; H112-A147 HydrophobicContact CB-CB 4.27Å; H112-H148 WeakPolarHBondContact CA-O 3.32Å
113V98.4Very high98.2Very high8 Ų842.2 Ų42.25%0.04825%0.246CC..EExtended strand (participates in β ladder)trans-131.6137.3175.3680000109.3L111 I115 N117 A120 I121 A147 H148 L150L111-V113 HydrophobicContact CD1-CB 3.9Å; L111-V113 HydrophobicContact CD1-CG1 4.49Å; V113-I115 PolarHBondContact O-N 3.13Å; V113-N117 HydrophobicContact CG2-CB 3.9Å; V113-A120 HydrophobicContact CG2-CB 3.75Å; V113-I121 HydrophobicContact CG1-CG1 3.82Å; V113-I121 HydrophobicContact CG2-CG1 4.34Å; V113-A147 CarbonylContact O-C 3.53Å; V113-A147 WeakPolarHBondContact O-CA 3.19Å; V113-H148 HydrophobicContact CG1-CB 3.94Å; V113-H148 PolarHBondContact N-O 3.36Å; V113-H148 PolarHBondContact O-N 2.89Å; V113-L150 HydrophobicContact CG1-CD1 3.37Å; V113-L150 HydrophobicContact CG1-CD2 4.28Å; V113-L150 HydrophobicContact CG1-CG 4.42Å
114Q98.4Very high98.3Very high28 Ų2839.5 Ų39.513%0.13123%0.23CC..EExtended strand (participates in β ladder)trans-60.3137.4174.7-165.1178.526.100110.5S116 N117 Y139 E143 P144Q114-S116 PolarHBondContact O-N 2.93Å; Q114-S116 VanDerWaalsContact O-N 3.11Å; Q114-N117 WeakPolarHBondContact O-CB 3.48Å; Q114-N117 PolarHBondContact O-N 3.12Å; Q114-Y139 HydrophobicContact CB-CD2 4.45Å; Q114-Y139 HydrophobicContact CB-CE2 3.71Å; Q114-Y139 HydrophobicContact CG-CD2 4.21Å; Q114-Y139 HydrophobicContact CG-CE2 3.95Å; Q114-Y139 PolarHBondContact N-OH 3.35Å; Q114-E143 VanDerWaalsContact NE2-C 3.34Å; Q114-E143 PolarHBondContact NE2-O 3.07Å; Q114-P144 HydrophobicContact CG-CG 4.14Å; Q114-P144 WeakPolarHBondContact CG-O 3.26Å; Q114-P144 PolarHBondContact NE2-O 3.27Å
115I98.4Very high98.4Very high55 Ų5540.9 Ų40.928%0.28222%0.22SC..THydrogen-bonded Turntrans-60.2-25.9-173.462164.2000113.6V113 N117 T134 P144 D146V113-I115 PolarHBondContact O-N 3.13Å; I115-N117 VanDerWaalsContact C-N 3.32Å; I115-T134 HydrophobicContact CG2-CG2 4.13Å; I115-P144 HydrophobicContact CD1-CB 3.96Å; I115-P144 HydrophobicContact CD1-CG 4.18Å; I115-P144 HydrophobicContact CG1-CB 3.89Å; I115-P144 HydrophobicContact CG1-CG 3.63Å; I115-D146 HydrophobicContact CD1-CB 3.87Å; I115-D146 HydrophobicContact CG1-CB 4.1Å; I115-D146 HydrophobicContact CG2-CB 3.77Å; I115-D146 PolarHBondContact N-O 3.35Å
116S98.2Very high98.4Very high63 Ų6345.1 Ų45.144%0.44123%0.233SC..THydrogen-bonded Turntrans-82.2-5.2177.552.40000114.1Q114 E118 P144Q114-S116 PolarHBondContact O-N 2.93Å; Q114-S116 VanDerWaalsContact O-N 3.11Å; S116-E118 VanDerWaalsContact C-N 3.31Å; S116-E118 PolarHBondContact O-N 2.95Å; S116-E118 VanDerWaalsContact O-N 3.12Å; S116-P144 WeakPolarHBondContact OG-CD 3.47Å; S116-P144 WeakPolarHBondContact OG-CG 3.42Å
117N98.2Very high98.5Very high71 Ų7146.6 Ų46.638%0.3824%0.239SC..  trans-91.264.6-175.9-167.2-9.9000111.6V113 Q114 I115 S119 A120 I121V113-N117 HydrophobicContact CG2-CB 3.9Å; Q114-N117 WeakPolarHBondContact O-CB 3.48Å; Q114-N117 PolarHBondContact O-N 3.12Å; I115-N117 VanDerWaalsContact C-N 3.32Å; N117-S119 VanDerWaalsContact C-N 3.26Å; N117-S119 PolarHBondContact O-N 3.25Å; N117-A120 HydrophobicContact CB-CB 4.32Å; N117-A120 VanDerWaalsContact CG-CB 3.47Å; N117-A120 PolarHBondContact O-N 3.33Å; N117-A120 WeakPolarHBondContact OD1-CB 3.34Å; N117-A120 PolarHBondContact OD1-N 3.23Å; N117-I121 WeakPolarHBondContact O-CG1 3.18Å; N117-I121 PolarHBondContact O-N 3.29Å; N117-I121 VanDerWaalsContact O-N 3.08Å
118E98.3Very high98.5Very high143 Ų14347.8 Ų47.867%0.66825%0.254SS*.Hα-helixtrans-52.4-43-179.1-65.3175.9-17300112.1S116 A120 I121 D122S116-E118 VanDerWaalsContact C-N 3.31Å; S116-E118 PolarHBondContact O-N 2.95Å; S116-E118 VanDerWaalsContact O-N 3.12Å; E118-A120 VanDerWaalsContact C-N 3.27Å; E118-A120 PolarHBondContact O-N 3.11Å; E118-I121 PolarHBondContact O-N 3.49Å; E118-I121 VanDerWaalsContact O-N 3.15Å; E118-D122 WeakPolarHBondContact O-CB 3.48Å; E118-D122 PolarHBondContact O-N 2.79Å
119S97.9Very high98.5Very high75 Ų7547.8 Ų47.852%0.52425%0.254SS..Hα-helixtrans-60.9-33.4179178.90000113.6N117 F123N117-S119 VanDerWaalsContact C-N 3.26Å; N117-S119 PolarHBondContact O-N 3.25Å; S119-F123 VanDerWaalsContact O-CB 3.32Å; S119-F123 WeakPolarHBondContact O-CB 3.45Å; S119-F123 PolarHBondContact O-N 2.9Å
120A98.1Very high98.5Very high19 Ų1954.4 Ų54.416%0.15729%0.285CS..Hα-helixtrans-78.9-39176.700000110.9V113 N117 E118 F123 Y124V113-A120 HydrophobicContact CG2-CB 3.75Å; N117-A120 HydrophobicContact CB-CB 4.32Å; N117-A120 VanDerWaalsContact CG-CB 3.47Å; N117-A120 PolarHBondContact O-N 3.33Å; N117-A120 WeakPolarHBondContact OD1-CB 3.34Å; N117-A120 PolarHBondContact OD1-N 3.23Å; E118-A120 VanDerWaalsContact C-N 3.27Å; E118-A120 PolarHBondContact O-N 3.11Å; A120-F123 WeakPolarHBondContact O-CB 3.32Å; A120-F123 PolarHBondContact O-N 3.31Å; A120-Y124 WeakPolarHBondContact O-CD2 3.42Å; A120-Y124 PolarHBondContact O-N 2.83Å
121I98.8Very high98.5Very high16 Ų1657 Ų578%0.08230%0.299CS..Hα-helixtrans-58-53.1175.5-65163.9000109.7V113 N117 E118 F123 Y124 Q125 I131V113-I121 HydrophobicContact CG1-CG1 3.82Å; V113-I121 HydrophobicContact CG2-CG1 4.34Å; N117-I121 WeakPolarHBondContact O-CG1 3.18Å; N117-I121 PolarHBondContact O-N 3.29Å; N117-I121 VanDerWaalsContact O-N 3.08Å; E118-I121 PolarHBondContact O-N 3.49Å; E118-I121 VanDerWaalsContact O-N 3.15Å; I121-F123 VanDerWaalsContact C-N 3.27Å; I121-F123 PolarHBondContact O-N 3.44Å; I121-Y124 PolarHBondContact O-N 2.83Å; I121-Q125 HydrophobicContact CG2-CG 4.4Å; I121-Q125 WeakPolarHBondContact O-CB 3.48Å; I121-Q125 WeakPolarHBondContact O-CG 3.4Å; I121-Q125 PolarHBondContact O-N 3.39Å; I121-I131 HydrophobicContact CG2-CD1 4.25Å
122D98.6Very high98.5Very high85 Ų8560.7 Ų60.746%0.45532%0.318SS..Hα-helixtrans-58.4-38.8176.5-73-7.3000112.5E118 K126E118-D122 WeakPolarHBondContact O-CB 3.48Å; E118-D122 PolarHBondContact O-N 2.79Å; D122-K126 VanDerWaalsContact O-CG 3.32Å; D122-K126 WeakPolarHBondContact O-CG 3.21Å; D122-K126 PolarHBondContact O-N 2.95Å
123F98.8Very high98.5Very high44 Ų4463.9 Ų63.919%0.19333%0.333CS..Hα-helixtrans-61.4-52.4177.2167.9-100.3000110.3L77 L93 S119 A120 I121 K126 F127L77-F123 HydrophobicContact CD2-CE1 4.26Å; L93-F123 HydrophobicContact CB-CE1 4.48Å; L93-F123 HydrophobicContact CB-CZ 4.12Å; L93-F123 HydrophobicContact CD2-CE1 3.75Å; L93-F123 HydrophobicContact CD2-CZ 3.82Å; S119-F123 VanDerWaalsContact O-CB 3.32Å; S119-F123 WeakPolarHBondContact O-CB 3.45Å; S119-F123 PolarHBondContact O-N 2.9Å; A120-F123 WeakPolarHBondContact O-CB 3.32Å; A120-F123 PolarHBondContact O-N 3.31Å; I121-F123 VanDerWaalsContact C-N 3.27Å; I121-F123 PolarHBondContact O-N 3.44Å; F123-K126 PolarHBondContact O-N 3.3Å; F123-F127 HydrophobicContact CD2-CE2 4.01Å; F123-F127 HydrophobicContact CE2-CD2 4.37Å; F123-F127 AromaticContact CE2-CE2 3.51Å; F123-F127 HydrophobicContact CE2-CE2 3.51Å; F123-F127 HydrophobicContact CE2-CZ 4.14Å; F123-F127 HydrophobicContact CZ-CD2 4.38Å; F123-F127 AromaticContact CZ-CE2 3.8Å; F123-F127 HydrophobicContact CZ-CE2 3.8Å; F123-F127 HydrophobicContact CZ-CZ 4.36Å; F123-F127 WeakPolarHBondContact O-CD2 3.35Å
124Y98.9Very high98.5Very high13 Ų1366.2 Ų66.25%0.05135%0.347CS..Hα-helixtrans-69.5-36.4-177.6-76-65.8000113I74 L77 L93 L111 A120 I121 K126 F127 G128 F129 L150I74-Y124 HydrophobicContact CD1-CE1 4.27Å; L77-Y124 WeakPolarHBondContact CB-OH 3.38Å; L93-Y124 HydrophobicContact CD1-CE1 4.2Å; L93-Y124 HydrophobicContact CD2-CD1 4.01Å; L93-Y124 HydrophobicContact CD2-CE1 4.08Å; L111-Y124 HydrophobicContact CD1-CD2 4.06Å; L111-Y124 HydrophobicContact CD1-CE2 3.76Å; L111-Y124 HydrophobicContact CD2-CD1 3.6Å; L111-Y124 HydrophobicContact CD2-CD2 3.84Å; L111-Y124 HydrophobicContact CD2-CE1 3.26Å; L111-Y124 HydrophobicContact CD2-CE2 3.54Å; L111-Y124 HydrophobicContact CD2-CG 3.88Å; L111-Y124 HydrophobicContact CG-CE2 4.32Å; A120-Y124 WeakPolarHBondContact O-CD2 3.42Å; A120-Y124 PolarHBondContact O-N 2.83Å; I121-Y124 PolarHBondContact O-N 2.83Å; Y124-K126 PolarHBondContact O-N 2.61Å; Y124-F127 WeakPolarHBondContact O-CA 3.36Å; Y124-F127 PolarHBondContact O-N 2.68Å; Y124-G128 PolarHBondContact O-N 3.19Å; Y124-F129 HydrophobicContact CD1-CD2 4.09Å; Y124-F129 HydrophobicContact CD1-CE2 4.11Å; Y124-F129 HydrophobicContact CD1-CG 4.31Å; Y124-F129 HydrophobicContact CD1-CZ 4.35Å; Y124-F129 WeakPolarHBondContact O-CB 3.42Å; Y124-F129 WeakPolarHBondContact O-CD2 3.14Å; Y124-F129 PolarHBondContact O-N 3.36Å; Y124-L150 HydrophobicContact CD2-CD2 4.26Å; Y124-L150 HydrophobicContact CG-CD2 4.28Å
125Q98.6Very high98.5Very high91 Ų9168.3 Ų68.343%0.42536%0.356SS..Hα-helixtrans-59-35.2175.9-76.6178.2-15.500112.6I121 F127 G128 F129I121-Q125 HydrophobicContact CG2-CG 4.4Å; I121-Q125 WeakPolarHBondContact O-CB 3.48Å; I121-Q125 WeakPolarHBondContact O-CG 3.4Å; I121-Q125 PolarHBondContact O-N 3.39Å; Q125-F127 PolarHBondContact O-N 2.77Å; Q125-F127 VanDerWaalsContact O-N 3.17Å; Q125-G128 PolarHBondContact O-N 3.25Å; Q125-F129 WeakPolarHBondContact CA-O 3.21Å
126K98.4Very high98.4Very high161 Ų16172.6 Ų72.670%0.737%0.373SS*.THydrogen-bonded Turntrans-62.9-19.8173.6-71.2169.9-173179.30114.1D122 F123 Y124D122-K126 VanDerWaalsContact O-CG 3.32Å; D122-K126 WeakPolarHBondContact O-CG 3.21Å; D122-K126 PolarHBondContact O-N 2.95Å; F123-K126 PolarHBondContact O-N 3.3Å; Y124-K126 PolarHBondContact O-N 2.61Å
127F98.5Very high98.4Very high41 Ų4174.5 Ų74.518%0.1838%0.378CS..THydrogen-bonded Turntrans-97.49.7173.7-67.2-96.3000112.3T90 L93 N94 L97 F123 Y124 Q125 F129 K152T90-F127 HydrophobicContact CG2-CE1 4.16Å; T90-F127 HydrophobicContact CG2-CZ 3.75Å; L93-F127 HydrophobicContact CD2-CB 3.88Å; L93-F127 HydrophobicContact CD2-CD1 3.76Å; L93-F127 HydrophobicContact CD2-CD2 3.53Å; L93-F127 HydrophobicContact CD2-CE1 4.17Å; L93-F127 HydrophobicContact CD2-CE2 3.98Å; L93-F127 HydrophobicContact CD2-CG 3.43Å; L93-F127 VanDerWaalsContact CD2-CG 3.43Å; L93-F127 HydrophobicContact CD2-CZ 4.28Å; L93-F127 HydrophobicContact CG-CD1 4.33Å; L93-F127 HydrophobicContact CG-CG 4.43Å; N94-F127 WeakPolarHBondContact OD1-CE1 3.48Å; L97-F127 HydrophobicContact CD1-CD1 4.21Å; F123-F127 HydrophobicContact CD2-CE2 4.01Å; F123-F127 HydrophobicContact CE2-CD2 4.37Å; F123-F127 AromaticContact CE2-CE2 3.51Å; F123-F127 HydrophobicContact CE2-CE2 3.51Å; F123-F127 HydrophobicContact CE2-CZ 4.14Å; F123-F127 HydrophobicContact CZ-CD2 4.38Å; F123-F127 AromaticContact CZ-CE2 3.8Å; F123-F127 HydrophobicContact CZ-CE2 3.8Å; F123-F127 HydrophobicContact CZ-CZ 4.36Å; F123-F127 WeakPolarHBondContact O-CD2 3.35Å; Y124-F127 WeakPolarHBondContact O-CA 3.36Å; Y124-F127 PolarHBondContact O-N 2.68Å; Q125-F127 PolarHBondContact O-N 2.77Å; Q125-F127 VanDerWaalsContact O-N 3.17Å; F127-F129 HydrophobicContact CB-CD2 4.08Å; F127-F129 HydrophobicContact CB-CE2 4.25Å; F127-K152 WeakPolarHBondContact O-CD 3.34Å; F127-K152 WeakPolarHBondContact O-CE 3.47Å; F127-K152 PolarHBondContact O-NZ 3.22Å
128G98.4Very high98.4Very high36 Ų3675 Ų7537%0.37138%0.375SS..THydrogen-bonded Turntrans73.431.8-179.800000113.3Y124 Q125 K152Y124-G128 PolarHBondContact O-N 3.19Å; Q125-G128 PolarHBondContact O-N 3.25Å; G128-K152 WeakPolarHBondContact O-CG 3.2Å
129F98.8Very high98.3Very high3 Ų370 Ų701%0.01335%0.35CS..  trans-83.7142.6161.8-74.1-109000109.6I74 L93 I109 L111 Y124 Q125 F127 L150 Q151 K152I74-F129 HydrophobicContact CD1-CZ 4.41Å; L93-F129 HydrophobicContact CD1-CE2 4.27Å; L93-F129 HydrophobicContact CD1-CZ 4.31Å; L93-F129 HydrophobicContact CD2-CE2 4.32Å; I109-F129 HydrophobicContact CB-CZ 4.45Å; I109-F129 HydrophobicContact CD1-CZ 4.29Å; I109-F129 HydrophobicContact CG1-CE1 4.33Å; I109-F129 HydrophobicContact CG1-CZ 4.15Å; I109-F129 HydrophobicContact CG2-CE1 3.9Å; I109-F129 HydrophobicContact CG2-CE2 4.45Å; I109-F129 HydrophobicContact CG2-CZ 3.58Å; I109-F129 WeakPolarHBondContact O-CE1 3.42Å; L111-F129 HydrophobicContact CD2-CD1 4.38Å; L111-F129 HydrophobicContact CD2-CE1 4.13Å; Y124-F129 HydrophobicContact CD1-CD2 4.09Å; Y124-F129 HydrophobicContact CD1-CE2 4.11Å; Y124-F129 HydrophobicContact CD1-CG 4.31Å; Y124-F129 HydrophobicContact CD1-CZ 4.35Å; Y124-F129 WeakPolarHBondContact O-CB 3.42Å; Y124-F129 WeakPolarHBondContact O-CD2 3.14Å; Y124-F129 PolarHBondContact O-N 3.36Å; Q125-F129 WeakPolarHBondContact CA-O 3.21Å; F127-F129 HydrophobicContact CB-CD2 4.08Å; F127-F129 HydrophobicContact CB-CE2 4.25Å; F129-L150 HydrophobicContact CB-CB 4.28Å; F129-L150 HydrophobicContact CD1-CB 4.27Å; F129-Q151 WeakPolarHBondContact CA-O 3.46Å; F129-K152 HydrophobicContact CD1-CB 3.95Å; F129-K152 HydrophobicContact CD2-CB 3.91Å; F129-K152 HydrophobicContact CD2-CD 4.37Å; F129-K152 HydrophobicContact CE1-CB 4.03Å; F129-K152 HydrophobicContact CE2-CB 3.98Å; F129-K152 HydrophobicContact CE2-CD 4.15Å; F129-K152 HydrophobicContact CG-CB 3.89Å; F129-K152 HydrophobicContact CZ-CB 4.04Å
130E98.6Very high98.1Very high140 Ų14074.7 Ų74.765%0.65436%0.361SS*.EExtended strand (participates in β ladder)trans-121.1149.8179-63.6176.217700109.9I132 L150 Q151E130-I132 PolarHBondContact O-N 3.37Å; E130-L150 CarbonylContact O-C 3.56Å; E130-L150 VanDerWaalsContact O-CA 3.27Å; E130-L150 WeakPolarHBondContact O-CA 3.47Å; E130-Q151 PolarHBondContact N-O 3.07Å; E130-Q151 PolarHBondContact O-N 3.47Å
131I98.7Very high97.9Very high70 Ų7083.8 Ų83.836%0.35939%0.391SS..EExtended strand (participates in β ladder)trans-77.1113.1172.2-60.4171.1000107.4I121 H148 L150I121-I131 HydrophobicContact CG2-CD1 4.25Å; I131-H148 HydrophobicContact CG1-CB 4.42Å; I131-H148 HydrophobicContact CG2-CB 4.05Å; I131-L150 HydrophobicContact CG1-CD1 3.8Å; I131-L150 HydrophobicContact CG1-CG 4.11Å
132I98.3Very high97.7Very high86 Ų8684.6 Ų84.644%0.44140%0.396SS..EExtended strand (participates in β ladder)trans-102.3-21.6-178.660.6158.5000113.3E130 V149 Q151E130-I132 PolarHBondContact O-N 3.37Å; I132-V149 HydrophobicContact CD1-CG1 3.94Å; I132-V149 HydrophobicContact CG1-CB 4.04Å; I132-V149 HydrophobicContact CG1-CG1 3.87Å; I132-V149 WeakPolarHBondContact CG1-O 3.04Å; I132-V149 PolarHBondContact N-O 3.21Å; I132-Q151 HydrophobicContact CD1-CB 3.75Å; I132-Q151 HydrophobicContact CD1-CG 4.36Å; I132-Q151 HydrophobicContact CG1-CB 4.02Å; I132-Q151 HydrophobicContact CG2-CB 4Å
133E98.3Very high97.5Very high93 Ų9388 Ų8844%0.43541%0.409SS..EExtended strand (participates in β ladder)trans-156153.2-176.1-168.2-169.4171.300109.3K135 H148 V149E133-K135 HydrophobicContact CG-CG 4.46Å; E133-K135 WeakPolarHBondContact OE1-CE 3.46Å; E133-K135 WeakPolarHBondContact OE2-CE 3.24Å; E133-H148 WeakPolarHBondContact O-CA 3.43Å; E133-V149 HydrophobicContact CB-CB 3.97Å; E133-V149 HydrophobicContact CB-CG2 3.91Å; E133-V149 HydrophobicContact CG-CG2 4.49Å; E133-V149 PolarHBondContact O-N 2.9Å
134T98.6Very high97.4Very high58 Ų5887.9 Ų87.936%0.35641%0.412SS..EExtended strand (participates in β ladder)trans-121.6115.8165.4-56.40000109.5I115 A147 H148I115-T134 HydrophobicContact CG2-CG2 4.13Å; T134-A147 CarbonylContact C-O 3.55Å; T134-H148 PolarHBondContact OG1-CE1 2.97Å; T134-H148 VanDerWaalsContact OG1-CE1 3.3Å; T134-H148 PolarHBondContact OG1-ND1 3.25Å
135K98.3Very high97.4Very high71 Ų7187.5 Ų87.531%0.30941%0.412SS..EExtended strand (participates in β ladder)trans-88.8115.1178.2-68.7-170.9178.4172.60110.4H112 E133 Y138 D146 A147 V149H112-K135 PolarHBondContact NE2-NZ 3.14Å; E133-K135 HydrophobicContact CG-CG 4.46Å; E133-K135 WeakPolarHBondContact OE1-CE 3.46Å; E133-K135 WeakPolarHBondContact OE2-CE 3.24Å; K135-Y138 HydrophobicContact CB-CD2 4.21Å; K135-Y138 HydrophobicContact CD-CD2 4.06Å; K135-Y138 HydrophobicContact CD-CE2 4.47Å; K135-D146 WeakPolarHBondContact O-CA 3.4Å; K135-A147 PolarHBondContact N-O 3.49Å; K135-A147 PolarHBondContact O-N 3.32Å; K135-V149 HydrophobicContact CD-CG2 4.12Å; K135-V149 HydrophobicContact CG-CG2 4.1Å
136K98.3Very high97.4Very high145 Ų14584.2 Ų84.263%0.6340%0.398SS*.THydrogen-bonded Turntrans-69.1140.8174.3-63.9-59-173.8174.50111.4Y138 D146K136-Y138 PolarHBondContact O-N 3.37Å; K136-D146 VanDerWaalsContact CA-OD1 3.26Å; K136-D146 WeakPolarHBondContact CA-OD1 3.34Å; K136-D146 VanDerWaalsContact CD-CG 3.48Å; K136-D146 WeakPolarHBondContact CD-OD1 3.42Å; K136-D146 WeakPolarHBondContact CD-OD2 3.42Å; K136-D146 WeakPolarHBondContact CE-OD2 3.49Å; K136-D146 IonicContact NZ-OD2 2.69Å; K136-D146 PolarHBondContact NZ-OD2 3.34Å
137N97.2Very high97.4Very high103 Ų10376.6 Ų76.655%0.55136%0.364SS*.THydrogen-bonded Turntrans52.937.4175.6-58.2-52.9000113.8K140 A145 D146N137-K140 PolarHBondContact O-NZ 3.42Å; N137-A145 CarbonylContact C-O 3.53Å; N137-D146 PolarHBondContact N-OD1 3.31Å
138Y97.7Very high97.4Very high81 Ų8176.2 Ų76.232%0.31836%0.363SS..  trans-67.7-51.2-179.2179.7-91.5000111Y73 H112 K135 K136 A145 A147Y73-Y138 PolarHBondContact OH-OH 3.2Å; H112-Y138 HydrophobicContact CB-CE1 4.02Å; H112-Y138 HydrophobicContact CB-CE2 4.36Å; H112-Y138 AromaticContact CD2-CD2 3.85Å; H112-Y138 AromaticContact CD2-CE2 3.35Å; H112-Y138 WeakPolarHBondContact CD2-CE2 3.14Å; H112-Y138 AromaticContact CD2-CZ 3.72Å; H112-Y138 AromaticContact CE1-CE2 3.93Å; H112-Y138 AromaticContact CG-CE2 3.68Å; H112-Y138 AromaticContact CG-CZ 3.53Å; H112-Y138 AromaticContact ND1-CE2 4Å; H112-Y138 AromaticContact ND1-CZ 3.83Å; H112-Y138 PolarHBondContact ND1-OH 2.9Å; H112-Y138 AromaticContact NE2-CE2 3.52Å; K135-Y138 HydrophobicContact CB-CD2 4.21Å; K135-Y138 HydrophobicContact CD-CD2 4.06Å; K135-Y138 HydrophobicContact CD-CE2 4.47Å; K136-Y138 PolarHBondContact O-N 3.37Å; Y138-A145 PolarHBondContact N-O 2.98Å; Y138-A147 HydrophobicContact CD1-CB 3.66Å; Y138-A147 HydrophobicContact CD2-CB 4.38Å; Y138-A147 HydrophobicContact CE1-CB 4.42Å; Y138-A147 HydrophobicContact CG-CB 3.65Å
139Y96.4Very high97.4Very high39 Ų3974.6 Ų74.615%0.15335%0.346CS..  trans-85129.4176-57.5-74.2000110.5V29 Q114 I142 A145 A147V29-Y139 HydrophobicContact CG1-CD1 3.93Å; V29-Y139 HydrophobicContact CG1-CE1 4.32Å; Q114-Y139 HydrophobicContact CB-CD2 4.45Å; Q114-Y139 HydrophobicContact CB-CE2 3.71Å; Q114-Y139 HydrophobicContact CG-CD2 4.21Å; Q114-Y139 HydrophobicContact CG-CE2 3.95Å; Q114-Y139 PolarHBondContact N-OH 3.35Å; Y139-I142 VanDerWaalsContact CB-CG1 3.47Å; Y139-I142 HydrophobicContact CD1-CD1 3.99Å; Y139-I142 HydrophobicContact CD1-CG1 4.37Å; Y139-I142 HydrophobicContact CD2-CD1 4.28Å; Y139-I142 HydrophobicContact CD2-CG1 4.48Å; Y139-I142 HydrophobicContact CG-CD1 3.83Å; Y139-I142 HydrophobicContact CG-CG1 3.89Å; Y139-A145 PolarHBondContact N-O 2.98Å; Y139-A145 WeakPolarHBondContact O-CB 3.42Å; Y139-A147 HydrophobicContact CD2-CB 4.37Å; Y139-A147 HydrophobicContact CE2-CB 3.67Å
140K93.8Very high97.4Very high174 Ų17474.4 Ų74.476%0.75735%0.345SS*.SBendtrans-91-12-173.2-58.4-55.2-176-168.90115.1N137N137-K140 PolarHBondContact O-NZ 3.42Å
141R93.8Very high97.4Very high209 Ų20969.6 Ų69.679%0.78932%0.323SS*.SBendtrans-136.47.3-167.5-64.6-168.6-68.7-120.2-0.7114.2
142I95.2Very high97.4Very high34 Ų3469.1 Ų69.117%0.17432%0.318CS..SBendtrans-141.5151.3-17960.4171.1000109.5P28 V29 Y139 A145P28-I142 HydrophobicContact CB-CD1 3.89Å; P28-I142 HydrophobicContact CB-CG2 4.34Å; P28-I142 HydrophobicContact CG-CD1 3.61Å; V29-I142 HydrophobicContact CG1-CD1 4.08Å; Y139-I142 VanDerWaalsContact CB-CG1 3.47Å; Y139-I142 HydrophobicContact CD1-CD1 3.99Å; Y139-I142 HydrophobicContact CD1-CG1 4.37Å; Y139-I142 HydrophobicContact CD2-CD1 4.28Å; Y139-I142 HydrophobicContact CD2-CG1 4.48Å; Y139-I142 HydrophobicContact CG-CD1 3.83Å; Y139-I142 HydrophobicContact CG-CG1 3.89Å; I142-A145 WeakPolarHBondContact O-CA 3.4Å
143E94.7Very high97.4Very high156 Ų15668.8 Ų68.873%0.72932%0.324SS*.SBendtrans-114.8144.9176.3-69.7-60.1155.300111.1Q114 A145Q114-E143 VanDerWaalsContact NE2-C 3.34Å; Q114-E143 PolarHBondContact NE2-O 3.07Å; E143-A145 PolarHBondContact OE2-N 3.07Å
144P97Very high97.2Very high41 Ų4167 Ų6727%0.26632%0.317SS..SBendcis-65.2139.3-8.527.7-34.3000112.1Q114 I115 S116 D146Q114-P144 HydrophobicContact CG-CG 4.14Å; Q114-P144 WeakPolarHBondContact CG-O 3.26Å; Q114-P144 PolarHBondContact NE2-O 3.27Å; I115-P144 HydrophobicContact CD1-CB 3.96Å; I115-P144 HydrophobicContact CD1-CG 4.18Å; I115-P144 HydrophobicContact CG1-CB 3.89Å; I115-P144 HydrophobicContact CG1-CG 3.63Å; S116-P144 WeakPolarHBondContact OG-CD 3.47Å; S116-P144 WeakPolarHBondContact OG-CG 3.42Å; P144-D146 PolarHBondContact O-N 3.17Å
145A97.5Very high96.5Very high6 Ų671.4 Ų71.45%0.0533%0.327CS..  trans-71-15.4-175.900000114.4N137 Y138 Y139 I142 E143N137-A145 CarbonylContact C-O 3.53Å; Y138-A145 PolarHBondContact N-O 2.98Å; Y139-A145 PolarHBondContact N-O 2.98Å; Y139-A145 WeakPolarHBondContact O-CB 3.42Å; I142-A145 WeakPolarHBondContact O-CA 3.4Å; E143-A145 PolarHBondContact OE2-N 3.07Å
146D98.5Very high94.7Very high22 Ų2273.4 Ų73.412%0.11835%0.35CS..  trans-78.6150.1-175.1-66.8-7.4000112.7I115 K135 K136 N137 P144I115-D146 HydrophobicContact CD1-CB 3.87Å; I115-D146 HydrophobicContact CG1-CB 4.1Å; I115-D146 HydrophobicContact CG2-CB 3.77Å; I115-D146 PolarHBondContact N-O 3.35Å; K135-D146 WeakPolarHBondContact O-CA 3.4Å; K136-D146 VanDerWaalsContact CA-OD1 3.26Å; K136-D146 WeakPolarHBondContact CA-OD1 3.34Å; K136-D146 VanDerWaalsContact CD-CG 3.48Å; K136-D146 WeakPolarHBondContact CD-OD1 3.42Å; K136-D146 WeakPolarHBondContact CD-OD2 3.42Å; K136-D146 WeakPolarHBondContact CE-OD2 3.49Å; K136-D146 IonicContact NZ-OD2 2.69Å; K136-D146 PolarHBondContact NZ-OD2 3.34Å; N137-D146 PolarHBondContact N-OD1 3.31Å; P144-D146 PolarHBondContact O-N 3.17Å
147A98.7Very high92.3Very high0 Ų072 Ų720%036%0.358CS..EExtended strand (participates in β ladder)trans-130.913517400000111.9H112 V113 T134 K135 Y138 Y139H112-A147 HydrophobicContact CB-CB 4.27Å; V113-A147 CarbonylContact O-C 3.53Å; V113-A147 WeakPolarHBondContact O-CA 3.19Å; T134-A147 CarbonylContact C-O 3.55Å; K135-A147 PolarHBondContact N-O 3.49Å; K135-A147 PolarHBondContact O-N 3.32Å; Y138-A147 HydrophobicContact CD1-CB 3.66Å; Y138-A147 HydrophobicContact CD2-CB 4.38Å; Y138-A147 HydrophobicContact CE1-CB 4.42Å; Y138-A147 HydrophobicContact CG-CB 3.65Å; Y139-A147 HydrophobicContact CD2-CB 4.37Å; Y139-A147 HydrophobicContact CE2-CB 3.67Å
148H98.8Very high89.6Confident33 Ų3373 Ų7315%0.15337%0.372CS..EExtended strand (participates in β ladder)trans-76142163.3-65.8-47.1000110.3H112 V113 I131 E133 T134 L150H112-H148 WeakPolarHBondContact CA-O 3.32Å; V113-H148 HydrophobicContact CG1-CB 3.94Å; V113-H148 PolarHBondContact N-O 3.36Å; V113-H148 PolarHBondContact O-N 2.89Å; I131-H148 HydrophobicContact CG1-CB 4.42Å; I131-H148 HydrophobicContact CG2-CB 4.05Å; E133-H148 WeakPolarHBondContact O-CA 3.43Å; T134-H148 PolarHBondContact OG1-CE1 2.97Å; T134-H148 VanDerWaalsContact OG1-CE1 3.3Å; T134-H148 PolarHBondContact OG1-ND1 3.25Å; H148-L150 HydrophobicContact CB-CD1 3.51Å
149V98.7Very high86.9Confident2 Ų273 Ų731%0.01239%0.389CS..EExtended strand (participates in β ladder)trans-93.2113.3164-174.10000107.2Y110 L111 I132 E133 K135Y110-V149 HydrophobicContact CD2-CG1 4.03Å; L111-V149 WeakPolarHBondContact O-CA 3.44Å; I132-V149 HydrophobicContact CD1-CG1 3.94Å; I132-V149 HydrophobicContact CG1-CB 4.04Å; I132-V149 HydrophobicContact CG1-CG1 3.87Å; I132-V149 WeakPolarHBondContact CG1-O 3.04Å; I132-V149 PolarHBondContact N-O 3.21Å; E133-V149 HydrophobicContact CB-CB 3.97Å; E133-V149 HydrophobicContact CB-CG2 3.91Å; E133-V149 HydrophobicContact CG-CG2 4.49Å; E133-V149 PolarHBondContact O-N 2.9Å; K135-V149 HydrophobicContact CD-CG2 4.12Å; K135-V149 HydrophobicContact CG-CG2 4.1Å
150L98.8Very high84.3Confident0 Ų076.5 Ų76.50%042%0.416CS..EExtended strand (participates in β ladder)trans-99.3132.9174.1-84.365.2000108.8Y110 L111 V113 Y124 F129 E130 I131 H148Y110-L150 CarbonylContact C-O 3.6Å; Y110-L150 WeakPolarHBondContact CA-O 3.42Å; Y110-L150 VanDerWaalsContact CB-O 3.32Å; Y110-L150 WeakPolarHBondContact CB-O 3.41Å; L111-L150 HydrophobicContact CD1-CB 4.38Å; L111-L150 HydrophobicContact CG-CB 4.19Å; L111-L150 PolarHBondContact N-O 3.09Å; L111-L150 PolarHBondContact O-N 3.11Å; V113-L150 HydrophobicContact CG1-CD1 3.37Å; V113-L150 HydrophobicContact CG1-CD2 4.28Å; V113-L150 HydrophobicContact CG1-CG 4.42Å; Y124-L150 HydrophobicContact CD2-CD2 4.26Å; Y124-L150 HydrophobicContact CG-CD2 4.28Å; F129-L150 HydrophobicContact CB-CB 4.28Å; F129-L150 HydrophobicContact CD1-CB 4.27Å; E130-L150 CarbonylContact O-C 3.56Å; E130-L150 VanDerWaalsContact O-CA 3.27Å; E130-L150 WeakPolarHBondContact O-CA 3.47Å; I131-L150 HydrophobicContact CG1-CD1 3.8Å; I131-L150 HydrophobicContact CG1-CG 4.11Å; H148-L150 HydrophobicContact CB-CD1 3.51Å
151Q98.8Very high81.9Confident39 Ų3974.3 Ų74.318%0.18242%0.42CS..EExtended strand (participates in β ladder)trans-136.7142.7-178.2-176.6174.4-76.800111.4N108 I109 F129 E130 I132N108-Q151 HydrophobicContact CB-CG 3.81Å; N108-Q151 PolarHBondContact OD1-OE1 3.44Å; I109-Q151 WeakPolarHBondContact O-CA 3.45Å; F129-Q151 WeakPolarHBondContact CA-O 3.46Å; E130-Q151 PolarHBondContact N-O 3.07Å; E130-Q151 PolarHBondContact O-N 3.47Å; I132-Q151 HydrophobicContact CD1-CB 3.75Å; I132-Q151 HydrophobicContact CD1-CG 4.36Å; I132-Q151 HydrophobicContact CG1-CB 4.02Å; I132-Q151 HydrophobicContact CG2-CB 4Å
152K98.5Very high79.9Confident59 Ų5970.3 Ų70.326%0.25742%0.424SS..EExtended strand (participates in β ladder)trans-118122.2166.1176.8-178.1-17369.70109L97 N108 I109 F127 G128 F129 L154L97-K152 HydrophobicContact CD2-CD 4.18Å; N108-K152 VanDerWaalsContact CA-O 3.3Å; N108-K152 WeakPolarHBondContact CA-O 3.46Å; N108-K152 VanDerWaalsContact CB-O 3.27Å; N108-K152 WeakPolarHBondContact CB-O 3.26Å; I109-K152 HydrophobicContact CG2-CB 3.83Å; I109-K152 HydrophobicContact CG2-CD 4.49Å; I109-K152 HydrophobicContact CG2-CG 4.47Å; I109-K152 PolarHBondContact N-O 3.25Å; I109-K152 PolarHBondContact O-N 3.04Å; F127-K152 WeakPolarHBondContact O-CD 3.34Å; F127-K152 WeakPolarHBondContact O-CE 3.47Å; F127-K152 PolarHBondContact O-NZ 3.22Å; G128-K152 WeakPolarHBondContact O-CG 3.2Å; F129-K152 HydrophobicContact CD1-CB 3.95Å; F129-K152 HydrophobicContact CD2-CB 3.91Å; F129-K152 HydrophobicContact CD2-CD 4.37Å; F129-K152 HydrophobicContact CE1-CB 4.03Å; F129-K152 HydrophobicContact CE2-CB 3.98Å; F129-K152 HydrophobicContact CE2-CD 4.15Å; F129-K152 HydrophobicContact CG-CB 3.89Å; F129-K152 HydrophobicContact CZ-CB 4.04Å; K152-L154 HydrophobicContact CD-CD2 4.39Å; K152-L154 HydrophobicContact CG-CD2 4.44Å
153S97.4Very high77.6Confident80 Ų8071.9 Ų71.956%0.55945%0.448SS*.EExtended strand (participates in β ladder)trans-67.2136.8171.1-170.10000110R155S153-R155 PolarHBondContact OG-O 3.3Å
154L95.4Very high74.9Confident55 Ų5573.6 Ų73.629%0.28846%0.456SS..  trans-111.8-20.6179.2-63.3176.3000112.4C100 F106 D107 I109 K152 S156C100-L154 HydrophobicContact CB-CD1 3.64Å; F106-L154 HydrophobicContact CB-CD1 3.82Å; D107-L154 PolarHBondContact O-N 2.8Å; I109-L154 HydrophobicContact CB-CD1 4.15Å; I109-L154 HydrophobicContact CG2-CD1 4.15Å; I109-L154 HydrophobicContact CG2-CD2 4.16Å; I109-L154 HydrophobicContact CG2-CG 4.24Å; K152-L154 HydrophobicContact CD-CD2 4.39Å; K152-L154 HydrophobicContact CG-CD2 4.44Å; L154-S156 PolarHBondContact O-N 2.84Å
155R83Confident72.4Confident150 Ų15080 Ų8057%0.56649%0.487SS*.SBendtrans-73.2125.1164.9-69.5-177.9179.4-17910.7108.6D107 S153 S157D107-R155 VanDerWaalsContact CG-CZ 3.44Å; D107-R155 VanDerWaalsContact CG-NH2 3.3Å; D107-R155 PolarHBondContact O-N 2.89Å; D107-R155 IonicContact OD1-CZ 3.67Å; D107-R155 IonicContact OD1-NE 3.79Å; D107-R155 PolarHBondContact OD1-NE 2.69Å; D107-R155 IonicContact OD1-NH1 3.06Å; D107-R155 PolarHBondContact OD1-NH1 3.3Å; D107-R155 IonicContact OD1-NH2 3.17Å; D107-R155 PolarHBondContact OD1-NH2 3Å; D107-R155 IonicContact OD2-CZ 3.27Å; D107-R155 IonicContact OD2-NH2 2.86Å; D107-R155 PolarHBondContact OD2-NH2 2.77Å; S153-R155 PolarHBondContact OG-O 3.3Å; R155-S157 PolarHBondContact O-N 3.26Å
156S60.7Low69.6Low114 Ų11488.5 Ų88.580%0.79753%0.526SS*.  trans-52.8132.7157.7-87.20000107.1L154 C158L154-S156 PolarHBondContact O-N 2.84Å; S156-C158 PolarHBondContact O-N 3.32Å
157S48.3Very low67Low115 Ų11597.1 Ų97.180%0.80456%0.562SS**  trans-51.7110.7161.337.80000106.5R155 A159R155-S157 PolarHBondContact O-N 3.26Å; S157-A159 VanDerWaalsContact C-N 3.34Å; S157-A159 PolarHBondContact O-N 2.98Å
158C39.2Very low64.5Low125 Ų125103.7 Ų103.785%0.84560%0.602SS**  trans-54.9111.2160.5-89.40000104.9S156S156-C158 PolarHBondContact O-N 3.32Å
159A41Very low62.2Low80 Ų80114.4 Ų114.466%0.66165%0.652SS**  trans-51.6135.6163.500000106.8S157S157-A159 VanDerWaalsContact C-N 3.34Å; S157-A159 PolarHBondContact O-N 2.98Å
160P41.9Very low60.4Low113 Ų113120 Ų12073%0.73468%0.684SS**  trans-55.3140.7174.423.1-31.2000108.3S162P160-S162 PolarHBondContact O-N 2.85Å
161P43.8Very low58.4Low128 Ų128126.3 Ų126.383%0.83172%0.72SS**  trans-57.1114.7175.322.5-30.9000108.2G163P161-G163 PolarHBondContact O-N 2.9Å; P161-G163 VanDerWaalsContact O-N 3.14Å
162S52.1Low56.2Low125 Ų125131.2 Ų131.287%0.87475%0.75SS**  trans-67.2106.7170.146.20000108.3P160P160-S162 PolarHBondContact O-N 2.85Å
163G46Very low53.7Low66 Ų66135.4 Ų135.468%0.6878%0.779SS**  trans134.1104.116000000114.8P161P161-G163 PolarHBondContact O-N 2.9Å; P161-G163 VanDerWaalsContact O-N 3.14Å
164E39.7Very low50.9Low193 Ų193138.9 Ų138.990%0.90279%0.793SS**  -159.796.5123.1-106.5175-165.700107.9Q166E164-Q166 PolarHBondContact O-N 2.98Å
165L42.8Very low48Very low176 Ų176144.5 Ų144.592%0.92183%0.826SS**  trans-65.5110.6161.9-85.2139.4000106.7K167L165-K167 PolarHBondContact O-N 2.8Å; L165-K167 VanDerWaalsContact O-N 3.08Å
166Q39.7Very low45.5Very low183 Ų183144.1 Ų144.186%0.85585%0.845SS**  trans-56.3113.8167.4-78.8176.1-14.100108.6E164 V168E164-Q166 PolarHBondContact O-N 2.98Å; Q166-V168 PolarHBondContact O-N 3.18Å
167K43.3Very low44.3Very low204 Ų204146.4 Ų146.489%0.88785%0.849SS**  trans-67.3117.3158.4-85.7-176.8173.5-176.50107L165L165-K167 PolarHBondContact O-N 2.8Å; L165-K167 VanDerWaalsContact O-N 3.08Å
168V46Very low44Very low137 Ų137149 Ų14983%0.8385%0.852SS**  trans-78.2119.2165.5-176.20000106.5Q166Q166-V168 PolarHBondContact O-N 3.18Å
169E52Low44.4Very low258 Ų258151.2 Ų151.2100%1.20685%0.853SS**  trans-112.20152.7-77.6-173.3157.300108

Retrieved 169 of 169 residues in 140.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).